5-[5-hydroxy-2-(3-methoxyphenyl)-2-phenylpentoxy]-4-(3-methoxyphenyl)-4-phenylpentan-1-ol

C36H42O5 — CID 70528603

IUPAC5-[5-hydroxy-2-(3-methoxyphenyl)-2-phenylpentoxy]-4-(3-methoxyphenyl)-4-phenylpentan-1-ol
SMILESCOc1cccc(C(CCCO)(COCC(CCCO)(c2ccccc2)c2cccc(OC)c2)c2ccccc2)c1
InChIInChI=1S/C36H42O5/c1-39-33-19-9-17-31(25-33)35(21-11-23-37,29-13-5-3-6-14-29)27-41-28-36(22-12-24-38,30-15-7-4-8-16-30)32-18-10-20-34(26-32)40-2/h3-10,13-20,25-26,37-38H,11-12,21-24,27-28H2,1-2H3
InChIKeyLPHZMOBGDBCPLS-UHFFFAOYSA-N
MW554.73 g/mol
LogP6.54
Rot. Bonds16

About 5-[5-hydroxy-2-(3-methoxyphenyl)-2-phenylpentoxy]-4-(3-methoxyphenyl)-4-phenylpentan-1-ol

5-[5-hydroxy-2-(3-methoxyphenyl)-2-phenylpentoxy]-4-(3-methoxyphenyl)-4-phenylpentan-1-ol (PubChem CID 70528603) has the molecular formula C36H42O5 and a molecular weight of 554.73 g/mol. Its IUPAC name is 5-[5-hydroxy-2-(3-methoxyphenyl)-2-phenylpentoxy]-4-(3-methoxyphenyl)-4-phenylpentan-1-ol.

Molecular Properties

Compound Name5-[5-hydroxy-2-(3-methoxyphenyl)-2-phenylpentoxy]-4-(3-methoxyphenyl)-4-phenylpentan-1-ol
PubChem CID70528603
Molecular FormulaC36H42O5
Molecular Weight554.73 g/mol
Exact Mass554.30
IUPAC Name5-[5-hydroxy-2-(3-methoxyphenyl)-2-phenylpentoxy]-4-(3-methoxyphenyl)-4-phenylpentan-1-ol
SMILESCOc1cccc(C(CCCO)(COCC(CCCO)(c2ccccc2)c2cccc(OC)c2)c2ccccc2)c1
InChIInChI=1S/C36H42O5/c1-39-33-19-9-17-31(25-33)35(21-11-23-37,29-13-5-3-6-14-29)27-41-28-36(22-12-24-38,30-15-7-4-8-16-30)32-18-10-20-34(26-32)40-2/h3-10,13-20,25-26,37-38H,11-12,21-24,27-28H2,1-2H3
InChIKeyLPHZMOBGDBCPLS-UHFFFAOYSA-N
XLogP6.54
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.73
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 43810200
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940
3-chloro-1-(3-methoxyphenyl)-1-phenylpropan-1-ol
CID 116696320
2-ethyl-2-(3-methoxyphenyl)propanedioic acid
CID 165450739
2-bromo-2-(3-methoxyphenyl)propanoic acid
CID 19795685
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
5-amino-2-(3-methoxyphenyl)-2-methylpentanoic acid
CID 117049749
1-(2-chlorophenyl)-2-(3-methoxyphenyl)propan-2-ol
CID 54919291
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
2-(3-methoxyphenyl)-2-methylpropanedioic acid
CID 83536911
1,3-difluoro-2-(3-methoxyphenyl)propan-2-ol
CID 102581302

Frequently Asked Questions

What is the IUPAC name of 5-[5-hydroxy-2-(3-methoxyphenyl)-2-phenylpentoxy]-4-(3-methoxyphenyl)-4-phenylpentan-1-ol?
The IUPAC name of 5-[5-hydroxy-2-(3-methoxyphenyl)-2-phenylpentoxy]-4-(3-methoxyphenyl)-4-phenylpentan-1-ol (CID 70528603) is 5-[5-hydroxy-2-(3-methoxyphenyl)-2-phenylpentoxy]-4-(3-methoxyphenyl)-4-phenylpentan-1-ol.
What is the SMILES notation for 5-[5-hydroxy-2-(3-methoxyphenyl)-2-phenylpentoxy]-4-(3-methoxyphenyl)-4-phenylpentan-1-ol?
The canonical SMILES for 5-[5-hydroxy-2-(3-methoxyphenyl)-2-phenylpentoxy]-4-(3-methoxyphenyl)-4-phenylpentan-1-ol is COc1cccc(C(CCCO)(COCC(CCCO)(c2ccccc2)c2cccc(OC)c2)c2ccccc2)c1.
What is the InChIKey of 5-[5-hydroxy-2-(3-methoxyphenyl)-2-phenylpentoxy]-4-(3-methoxyphenyl)-4-phenylpentan-1-ol?
The InChIKey is LPHZMOBGDBCPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42O5/c1-39-33-19-9-17-31(25-33)35(21-11-23-37,29-13-5-3-6-14-29)27-41-28-36(22-12-24-38,30-15-7-4-8-16-30)32-18-10-20-34(26-32)40-2/h3-10,13-20,25-26,37-38H,11-12,21-24,27-28H2,1-2H3.
What are the key properties of 5-[5-hydroxy-2-(3-methoxyphenyl)-2-phenylpentoxy]-4-(3-methoxyphenyl)-4-phenylpentan-1-ol?
5-[5-hydroxy-2-(3-methoxyphenyl)-2-phenylpentoxy]-4-(3-methoxyphenyl)-4-phenylpentan-1-ol has a molecular weight of 554.73 g/mol, XLogP of 6.54, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-hydroxy-2-(3-methoxyphenyl)-2-phenylpentoxy]-4-(3-methoxyphenyl)-4-phenylpentan-1-ol is sourced from PubChem (CID 70528603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).