[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol

C44H38O4 — CID 58991857

IUPAC[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
SMILESCOc1ccc(C(=Cc2ccc(-c3ccc(C=C(c4ccc(CO)cc4)c4ccc(CO)cc4)cc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C44H38O4/c1-47-41-23-19-39(20-24-41)44(40-21-25-42(48-2)26-22-40)28-32-5-13-36(14-6-32)35-11-3-31(4-12-35)27-43(37-15-7-33(29-45)8-16-37)38-17-9-34(30-46)10-18-38/h3-28,45-46H,29-30H2,1-2H3
InChIKeyQWQLLIVUWBDZJQ-UHFFFAOYSA-N
MW630.78 g/mol
LogP9.53
Rot. Bonds11

About [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol

[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol (PubChem CID 58991857) has the molecular formula C44H38O4 and a molecular weight of 630.78 g/mol. Its IUPAC name is [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
PubChem CID58991857
Molecular FormulaC44H38O4
Molecular Weight630.78 g/mol
Exact Mass630.28
IUPAC Name[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
SMILESCOc1ccc(C(=Cc2ccc(-c3ccc(C=C(c4ccc(CO)cc4)c4ccc(CO)cc4)cc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C44H38O4/c1-47-41-23-19-39(20-24-41)44(40-21-25-42(48-2)26-22-40)28-32-5-13-36(14-6-32)35-11-3-31(4-12-35)27-43(37-15-7-33(29-45)8-16-37)38-17-9-34(30-46)10-18-38/h3-28,45-46H,29-30H2,1-2H3
InChIKeyQWQLLIVUWBDZJQ-UHFFFAOYSA-N
XLogP9.53
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.78
LogP ≤ 59.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-(hydroxymethyl)-N-[4-[(Z)-1-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-2-[4-[(E)-2-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino]phenyl]methanol
CID 159978372
[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
CID 58325614
N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 54214278
(4-methoxyphenyl)methanol
CID 7738
1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene
CID 66556000
4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 163442886
4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline
CID 122467021
[4-[2-(4-aminophenyl)-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
CID 122463869
[4-[2-[4-[N-(4-methoxyphenyl)-4-(sulfanylmethyl)anilino]phenyl]-1-(4-methylphenyl)ethenyl]phenyl]methanethiol
CID 73461398
[4-[4-(2-methylprop-1-enyl)phenyl]phenyl]methanol
CID 19705950
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 163788418

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol?
The IUPAC name of [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol (CID 58991857) is [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol.
What is the SMILES notation for [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol?
The canonical SMILES for [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol is COc1ccc(C(=Cc2ccc(-c3ccc(C=C(c4ccc(CO)cc4)c4ccc(CO)cc4)cc3)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol?
The InChIKey is QWQLLIVUWBDZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38O4/c1-47-41-23-19-39(20-24-41)44(40-21-25-42(48-2)26-22-40)28-32-5-13-36(14-6-32)35-11-3-31(4-12-35)27-43(37-15-7-33(29-45)8-16-37)38-17-9-34(30-46)10-18-38/h3-28,45-46H,29-30H2,1-2H3.
What are the key properties of [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol?
[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol has a molecular weight of 630.78 g/mol, XLogP of 9.53, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol is sourced from PubChem (CID 58991857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).