2-(2-hydroxy-6-phenylmethoxyphenyl)-3-(4-phenylmethoxybut-1-enyl)benzene-1,4-diol

C30H28O5 — CID 142703348

IUPAC2-(2-hydroxy-6-phenylmethoxyphenyl)-3-(4-phenylmethoxybut-1-enyl)benzene-1,4-diol
SMILESOc1ccc(O)c(-c2c(O)cccc2OCc2ccccc2)c1C=CCCOCc1ccccc1
InChIInChI=1S/C30H28O5/c31-25-17-18-27(33)29(24(25)14-7-8-19-34-20-22-10-3-1-4-11-22)30-26(32)15-9-16-28(30)35-21-23-12-5-2-6-13-23/h1-7,9-18,31-33H,8,19-21H2
InChIKeyNLBITPLBAZUKAJ-UHFFFAOYSA-N
MW468.55 g/mol
LogP6.67
Rot. Bonds10

About 2-(2-hydroxy-6-phenylmethoxyphenyl)-3-(4-phenylmethoxybut-1-enyl)benzene-1,4-diol

2-(2-hydroxy-6-phenylmethoxyphenyl)-3-(4-phenylmethoxybut-1-enyl)benzene-1,4-diol (PubChem CID 142703348) has the molecular formula C30H28O5 and a molecular weight of 468.55 g/mol. Its IUPAC name is 2-(2-hydroxy-6-phenylmethoxyphenyl)-3-(4-phenylmethoxybut-1-enyl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(2-hydroxy-6-phenylmethoxyphenyl)-3-(4-phenylmethoxybut-1-enyl)benzene-1,4-diol
PubChem CID142703348
Molecular FormulaC30H28O5
Molecular Weight468.55 g/mol
Exact Mass468.19
IUPAC Name2-(2-hydroxy-6-phenylmethoxyphenyl)-3-(4-phenylmethoxybut-1-enyl)benzene-1,4-diol
SMILESOc1ccc(O)c(-c2c(O)cccc2OCc2ccccc2)c1C=CCCOCc1ccccc1
InChIInChI=1S/C30H28O5/c31-25-17-18-27(33)29(24(25)14-7-8-19-34-20-22-10-3-1-4-11-22)30-26(32)15-9-16-28(30)35-21-23-12-5-2-6-13-23/h1-7,9-18,31-33H,8,19-21H2
InChIKeyNLBITPLBAZUKAJ-UHFFFAOYSA-N
XLogP6.67
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.55
LogP ≤ 56.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxy-6-phenylmethoxyphenyl)-3-(4-phenylmethoxybut-1-enyl)benzene-1,4-diol 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-bromo-2-[(E)-4-phenylmethoxybut-1-enyl]phenol;ethane
CID 143771416
5-bromo-2-hydroxybenzaldehyde;4-bromo-2-[(E)-4-phenylmethoxybut-1-enyl]phenol
CID 159341979
[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
CID 10333986
2-[2,6-bis(methoxymethoxy)phenyl]-3-hydroxy-6-phenylmethoxybenzaldehyde
CID 135029831
1-(2-hydroxy-8-phenylmethoxynaphthalen-1-yl)-8-phenylmethoxynaphthalen-2-ol
CID 71528265
5-fluoro-2-[(Z)-4-phenylmethoxybut-1-enyl]pyridine
CID 134541930
[(Z)-pent-3-enoxy]methylbenzene
CID 13428364
4-(2-phenylmethoxyphenyl)but-3-en-1-ol
CID 54307612
(Z)-6-(phenylmethoxymethoxy)hex-3-en-1-ol
CID 163205191
2,3-dihydroxy-6-phenylmethoxybenzaldehyde
CID 174450407
(2-hydroxy-3-phenylmethoxyphenyl)methanediol
CID 155107233
[(E)-4-(benzenesulfonyl)but-3-enoxy]methylbenzene
CID 10086281

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-6-phenylmethoxyphenyl)-3-(4-phenylmethoxybut-1-enyl)benzene-1,4-diol?
The IUPAC name of 2-(2-hydroxy-6-phenylmethoxyphenyl)-3-(4-phenylmethoxybut-1-enyl)benzene-1,4-diol (CID 142703348) is 2-(2-hydroxy-6-phenylmethoxyphenyl)-3-(4-phenylmethoxybut-1-enyl)benzene-1,4-diol.
What is the SMILES notation for 2-(2-hydroxy-6-phenylmethoxyphenyl)-3-(4-phenylmethoxybut-1-enyl)benzene-1,4-diol?
The canonical SMILES for 2-(2-hydroxy-6-phenylmethoxyphenyl)-3-(4-phenylmethoxybut-1-enyl)benzene-1,4-diol is Oc1ccc(O)c(-c2c(O)cccc2OCc2ccccc2)c1C=CCCOCc1ccccc1.
What is the InChIKey of 2-(2-hydroxy-6-phenylmethoxyphenyl)-3-(4-phenylmethoxybut-1-enyl)benzene-1,4-diol?
The InChIKey is NLBITPLBAZUKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28O5/c31-25-17-18-27(33)29(24(25)14-7-8-19-34-20-22-10-3-1-4-11-22)30-26(32)15-9-16-28(30)35-21-23-12-5-2-6-13-23/h1-7,9-18,31-33H,8,19-21H2.
What are the key properties of 2-(2-hydroxy-6-phenylmethoxyphenyl)-3-(4-phenylmethoxybut-1-enyl)benzene-1,4-diol?
2-(2-hydroxy-6-phenylmethoxyphenyl)-3-(4-phenylmethoxybut-1-enyl)benzene-1,4-diol has a molecular weight of 468.55 g/mol, XLogP of 6.67, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-6-phenylmethoxyphenyl)-3-(4-phenylmethoxybut-1-enyl)benzene-1,4-diol is sourced from PubChem (CID 142703348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).