(3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol

C19H24O3 — CID 20758158

IUPAC(3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol
SMILESCOc1ccc(COCC[C@@H](O)CCc2ccccc2)cc1
InChIInChI=1S/C19H24O3/c1-21-19-11-8-17(9-12-19)15-22-14-13-18(20)10-7-16-5-3-2-4-6-16/h2-6,8-9,11-12,18,20H,7,10,13-15H2,1H3/t18-/m0/s1
InChIKeyCTEWNSAFZZKQLZ-SFHVURJKSA-N
MW300.40 g/mol
LogP3.60
Rot. Bonds9

About (3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol

(3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol (PubChem CID 20758158) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is (3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol.

Molecular Properties

Compound Name(3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol
PubChem CID20758158
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name(3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol
SMILESCOc1ccc(COCC[C@@H](O)CCc2ccccc2)cc1
InChIInChI=1S/C19H24O3/c1-21-19-11-8-17(9-12-19)15-22-14-13-18(20)10-7-16-5-3-2-4-6-16/h2-6,8-9,11-12,18,20H,7,10,13-15H2,1H3/t18-/m0/s1
InChIKeyCTEWNSAFZZKQLZ-SFHVURJKSA-N
XLogP3.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
(2R)-4-[(4-methoxyphenyl)methoxy]butane-1,2-diol
CID 44629947
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
(3R)-1-[(4-methoxyphenyl)methoxy]hex-5-yn-3-ol
CID 11042667
(3S)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
CID 46900175
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
(3R)-5-phenylmethoxypentane-1,3-diol
CID 73332901
azane;(1R)-1-(4-methoxyphenyl)-3-phenylmethoxypropan-1-amine
CID 69422231
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
5-(2-phenylmethoxyethoxy)pentane-1,3-diol
CID 66870835
5-methyl-1-phenylmethoxyhexan-3-ol
CID 121302735
(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-ol
CID 10878674

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol?
The IUPAC name of (3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol (CID 20758158) is (3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol.
What is the SMILES notation for (3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol?
The canonical SMILES for (3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol is COc1ccc(COCC[C@@H](O)CCc2ccccc2)cc1.
What is the InChIKey of (3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol?
The InChIKey is CTEWNSAFZZKQLZ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24O3/c1-21-19-11-8-17(9-12-19)15-22-14-13-18(20)10-7-16-5-3-2-4-6-16/h2-6,8-9,11-12,18,20H,7,10,13-15H2,1H3/t18-/m0/s1.
What are the key properties of (3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol?
(3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol has a molecular weight of 300.40 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol is sourced from PubChem (CID 20758158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).