(4-phenylmethoxyphenyl)-(5,6,7,8-tetrahydrochrysen-4-yl)methanone

C32H26O2 — CID 174388301

IUPAC(4-phenylmethoxyphenyl)-(5,6,7,8-tetrahydrochrysen-4-yl)methanone
SMILESO=C(c1ccc(OCc2ccccc2)cc1)c1cccc2ccc3c(c12)CCC1=C3C=CCC1
InChIInChI=1S/C32H26O2/c33-32(25-13-17-26(18-14-25)34-21-22-7-2-1-3-8-22)30-12-6-10-24-16-19-28-27-11-5-4-9-23(27)15-20-29(28)31(24)30/h1-3,5-8,10-14,16-19H,4,9,15,20-21H2
InChIKeyBVUVLTZMRQCYPX-UHFFFAOYSA-N
MW442.56 g/mol
LogP7.70
Rot. Bonds5

About (4-phenylmethoxyphenyl)-(5,6,7,8-tetrahydrochrysen-4-yl)methanone

(4-phenylmethoxyphenyl)-(5,6,7,8-tetrahydrochrysen-4-yl)methanone (PubChem CID 174388301) has the molecular formula C32H26O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is (4-phenylmethoxyphenyl)-(5,6,7,8-tetrahydrochrysen-4-yl)methanone.

Molecular Properties

Compound Name(4-phenylmethoxyphenyl)-(5,6,7,8-tetrahydrochrysen-4-yl)methanone
PubChem CID174388301
Molecular FormulaC32H26O2
Molecular Weight442.56 g/mol
Exact Mass442.19
IUPAC Name(4-phenylmethoxyphenyl)-(5,6,7,8-tetrahydrochrysen-4-yl)methanone
SMILESO=C(c1ccc(OCc2ccccc2)cc1)c1cccc2ccc3c(c12)CCC1=C3C=CCC1
InChIInChI=1S/C32H26O2/c33-32(25-13-17-26(18-14-25)34-21-22-7-2-1-3-8-22)30-12-6-10-24-16-19-28-27-11-5-4-9-23(27)15-20-29(28)31(24)30/h1-3,5-8,10-14,16-19H,4,9,15,20-21H2
InChIKeyBVUVLTZMRQCYPX-UHFFFAOYSA-N
XLogP7.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-phenylmethoxyphenyl)-(5,6,7,8-tetrahydrochrysen-4-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxyphenyl)-(5,6,7,8-tetrahydrochrysen-4-yl)methanone?
The IUPAC name of (4-phenylmethoxyphenyl)-(5,6,7,8-tetrahydrochrysen-4-yl)methanone (CID 174388301) is (4-phenylmethoxyphenyl)-(5,6,7,8-tetrahydrochrysen-4-yl)methanone.
What is the SMILES notation for (4-phenylmethoxyphenyl)-(5,6,7,8-tetrahydrochrysen-4-yl)methanone?
The canonical SMILES for (4-phenylmethoxyphenyl)-(5,6,7,8-tetrahydrochrysen-4-yl)methanone is O=C(c1ccc(OCc2ccccc2)cc1)c1cccc2ccc3c(c12)CCC1=C3C=CCC1.
What is the InChIKey of (4-phenylmethoxyphenyl)-(5,6,7,8-tetrahydrochrysen-4-yl)methanone?
The InChIKey is BVUVLTZMRQCYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O2/c33-32(25-13-17-26(18-14-25)34-21-22-7-2-1-3-8-22)30-12-6-10-24-16-19-28-27-11-5-4-9-23(27)15-20-29(28)31(24)30/h1-3,5-8,10-14,16-19H,4,9,15,20-21H2.
What are the key properties of (4-phenylmethoxyphenyl)-(5,6,7,8-tetrahydrochrysen-4-yl)methanone?
(4-phenylmethoxyphenyl)-(5,6,7,8-tetrahydrochrysen-4-yl)methanone has a molecular weight of 442.56 g/mol, XLogP of 7.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxyphenyl)-(5,6,7,8-tetrahydrochrysen-4-yl)methanone is sourced from PubChem (CID 174388301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).