7-phenylmethoxy-3,4-bis(4-phenylmethoxyphenyl)-2H-chromene

C42H34O4 — CID 67497871

IUPAC7-phenylmethoxy-3,4-bis(4-phenylmethoxyphenyl)-2H-chromene
SMILESc1ccc(COc2ccc(C3=C(c4ccc(OCc5ccccc5)cc4)c4ccc(OCc5ccccc5)cc4OC3)cc2)cc1
InChIInChI=1S/C42H34O4/c1-4-10-31(11-5-1)27-43-36-20-16-34(17-21-36)40-30-46-41-26-38(45-29-33-14-8-3-9-15-33)24-25-39(41)42(40)35-18-22-37(23-19-35)44-28-32-12-6-2-7-13-32/h1-26H,27-30H2
InChIKeyWSGGRZXMZYKRJE-UHFFFAOYSA-N
MW602.73 g/mol
LogP9.78
Rot. Bonds11

About 7-phenylmethoxy-3,4-bis(4-phenylmethoxyphenyl)-2H-chromene

7-phenylmethoxy-3,4-bis(4-phenylmethoxyphenyl)-2H-chromene (PubChem CID 67497871) has the molecular formula C42H34O4 and a molecular weight of 602.73 g/mol. Its IUPAC name is 7-phenylmethoxy-3,4-bis(4-phenylmethoxyphenyl)-2H-chromene.

Molecular Properties

Compound Name7-phenylmethoxy-3,4-bis(4-phenylmethoxyphenyl)-2H-chromene
PubChem CID67497871
Molecular FormulaC42H34O4
Molecular Weight602.73 g/mol
Exact Mass602.25
IUPAC Name7-phenylmethoxy-3,4-bis(4-phenylmethoxyphenyl)-2H-chromene
SMILESc1ccc(COc2ccc(C3=C(c4ccc(OCc5ccccc5)cc4)c4ccc(OCc5ccccc5)cc4OC3)cc2)cc1
InChIInChI=1S/C42H34O4/c1-4-10-31(11-5-1)27-43-36-20-16-34(17-21-36)40-30-46-41-26-38(45-29-33-14-8-3-9-15-33)24-25-39(41)42(40)35-18-22-37(23-19-35)44-28-32-12-6-2-7-13-32/h1-26H,27-30H2
InChIKeyWSGGRZXMZYKRJE-UHFFFAOYSA-N
XLogP9.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.73
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-phenylmethoxy-3,4-bis(4-phenylmethoxyphenyl)-2H-chromene 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-bromophenyl)-7-phenylmethoxy-2H-chromene
CID 170728384
4-(dimethoxymethyl)-1-[4-[3-(3,4-dimethylphenyl)-7-phenylmethoxy-2H-chromen-4-yl]-2-fluorophenyl]piperidine
CID 158789412
3-hydroxy-4-(4-phenylmethoxyphenyl)-2H-furan-5-one
CID 67894059
4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenol
CID 86199579
N,N-diethyl-2-[4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenoxy]ethanamine
CID 14521100
2,4-diethoxy-1-(4-phenylmethoxyphenyl)benzene
CID 54039072
4-(4-bromo-3-fluorophenyl)-7-phenylmethoxy-2H-chromene
CID 170728358
2-phenyl-5-phenylmethoxyphenol
CID 123808909
4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]-3-phenyl-7-phenylmethoxy-1,2-dihydronaphthalene
CID 154638177
7-phenylmethoxy-3-(6-phenylmethoxy-1,3-benzodioxol-5-yl)-2H-chromene
CID 11005099
(3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 132544352
6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one
CID 63097467

Frequently Asked Questions

What is the IUPAC name of 7-phenylmethoxy-3,4-bis(4-phenylmethoxyphenyl)-2H-chromene?
The IUPAC name of 7-phenylmethoxy-3,4-bis(4-phenylmethoxyphenyl)-2H-chromene (CID 67497871) is 7-phenylmethoxy-3,4-bis(4-phenylmethoxyphenyl)-2H-chromene.
What is the SMILES notation for 7-phenylmethoxy-3,4-bis(4-phenylmethoxyphenyl)-2H-chromene?
The canonical SMILES for 7-phenylmethoxy-3,4-bis(4-phenylmethoxyphenyl)-2H-chromene is c1ccc(COc2ccc(C3=C(c4ccc(OCc5ccccc5)cc4)c4ccc(OCc5ccccc5)cc4OC3)cc2)cc1.
What is the InChIKey of 7-phenylmethoxy-3,4-bis(4-phenylmethoxyphenyl)-2H-chromene?
The InChIKey is WSGGRZXMZYKRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34O4/c1-4-10-31(11-5-1)27-43-36-20-16-34(17-21-36)40-30-46-41-26-38(45-29-33-14-8-3-9-15-33)24-25-39(41)42(40)35-18-22-37(23-19-35)44-28-32-12-6-2-7-13-32/h1-26H,27-30H2.
What are the key properties of 7-phenylmethoxy-3,4-bis(4-phenylmethoxyphenyl)-2H-chromene?
7-phenylmethoxy-3,4-bis(4-phenylmethoxyphenyl)-2H-chromene has a molecular weight of 602.73 g/mol, XLogP of 9.78, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylmethoxy-3,4-bis(4-phenylmethoxyphenyl)-2H-chromene is sourced from PubChem (CID 67497871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).