[4-[3-[4-(3-hydroxy-4-methylpent-1-enyl)-3-methylphenyl]propyl]phenyl]methanediol

C23H30O3 — CID 69492068

IUPAC[4-[3-[4-(3-hydroxy-4-methylpent-1-enyl)-3-methylphenyl]propyl]phenyl]methanediol
SMILESCc1cc(CCCc2ccc(C(O)O)cc2)ccc1C=CC(O)C(C)C
InChIInChI=1S/C23H30O3/c1-16(2)22(24)14-13-20-10-9-19(15-17(20)3)6-4-5-18-7-11-21(12-8-18)23(25)26/h7-16,22-26H,4-6H2,1-3H3
InChIKeyQHPFKGPMIMGOHM-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.18
Rot. Bonds8

About [4-[3-[4-(3-hydroxy-4-methylpent-1-enyl)-3-methylphenyl]propyl]phenyl]methanediol

[4-[3-[4-(3-hydroxy-4-methylpent-1-enyl)-3-methylphenyl]propyl]phenyl]methanediol (PubChem CID 69492068) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is [4-[3-[4-(3-hydroxy-4-methylpent-1-enyl)-3-methylphenyl]propyl]phenyl]methanediol.

Molecular Properties

Compound Name[4-[3-[4-(3-hydroxy-4-methylpent-1-enyl)-3-methylphenyl]propyl]phenyl]methanediol
PubChem CID69492068
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Name[4-[3-[4-(3-hydroxy-4-methylpent-1-enyl)-3-methylphenyl]propyl]phenyl]methanediol
SMILESCc1cc(CCCc2ccc(C(O)O)cc2)ccc1C=CC(O)C(C)C
InChIInChI=1S/C23H30O3/c1-16(2)22(24)14-13-20-10-9-19(15-17(20)3)6-4-5-18-7-11-21(12-8-18)23(25)26/h7-16,22-26H,4-6H2,1-3H3
InChIKeyQHPFKGPMIMGOHM-UHFFFAOYSA-N
XLogP4.18
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[4-[2-[1-[4-(3-hydroxy-4-methylpent-1-enyl)-3-methylphenyl]cyclopentyl]ethyl]phenyl]methanediol
CID 69490505
[4-[2-[1-[4-(3-hydroxy-4-methylpent-1-enyl)-3-methylphenyl]cyclohexyl]ethyl]phenyl]methanediol
CID 69490055
(E)-1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]propyl]-2-methylphenyl]-5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-ol
CID 10344902
1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]propyl]-2-methylphenyl]-4-methylpentan-3-ol
CID 10451827
4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol
CID 162497681
4-butyl-2-methylphenol
CID 10964856
1-butan-2-yl-4-[3-(3-methylphenyl)propyl]benzene
CID 123139231
(1S)-1-(4-octylphenyl)ethanol
CID 67859464
2-[4-[3-[4-(dihydroxymethyl)phenyl]propyl]-2-ethylphenoxy]acetic acid
CID 69490227
2-methyl-4-(6-methylheptyl)phenol
CID 154140199
2-amino-1-(4-butylphenyl)-3-methylbutan-1-ol
CID 112512257
1-[4-[1-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]cyclopentyl]-2-methylphenyl]-4,4-dimethylpent-1-en-3-ol
CID 69491932

Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-(3-hydroxy-4-methylpent-1-enyl)-3-methylphenyl]propyl]phenyl]methanediol?
The IUPAC name of [4-[3-[4-(3-hydroxy-4-methylpent-1-enyl)-3-methylphenyl]propyl]phenyl]methanediol (CID 69492068) is [4-[3-[4-(3-hydroxy-4-methylpent-1-enyl)-3-methylphenyl]propyl]phenyl]methanediol.
What is the SMILES notation for [4-[3-[4-(3-hydroxy-4-methylpent-1-enyl)-3-methylphenyl]propyl]phenyl]methanediol?
The canonical SMILES for [4-[3-[4-(3-hydroxy-4-methylpent-1-enyl)-3-methylphenyl]propyl]phenyl]methanediol is Cc1cc(CCCc2ccc(C(O)O)cc2)ccc1C=CC(O)C(C)C.
What is the InChIKey of [4-[3-[4-(3-hydroxy-4-methylpent-1-enyl)-3-methylphenyl]propyl]phenyl]methanediol?
The InChIKey is QHPFKGPMIMGOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O3/c1-16(2)22(24)14-13-20-10-9-19(15-17(20)3)6-4-5-18-7-11-21(12-8-18)23(25)26/h7-16,22-26H,4-6H2,1-3H3.
What are the key properties of [4-[3-[4-(3-hydroxy-4-methylpent-1-enyl)-3-methylphenyl]propyl]phenyl]methanediol?
[4-[3-[4-(3-hydroxy-4-methylpent-1-enyl)-3-methylphenyl]propyl]phenyl]methanediol has a molecular weight of 354.49 g/mol, XLogP of 4.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-(3-hydroxy-4-methylpent-1-enyl)-3-methylphenyl]propyl]phenyl]methanediol is sourced from PubChem (CID 69492068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).