[(1S)-3-[4-(3-phenylpropoxy)phenyl]cyclopentyl]methanol

C21H26O2 — CID 143710483

IUPAC[(1S)-3-[4-(3-phenylpropoxy)phenyl]cyclopentyl]methanol
SMILESOC[C@H]1CCC(c2ccc(OCCCc3ccccc3)cc2)C1
InChIInChI=1S/C21H26O2/c22-16-18-8-9-20(15-18)19-10-12-21(13-11-19)23-14-4-7-17-5-2-1-3-6-17/h1-3,5-6,10-13,18,20,22H,4,7-9,14-16H2/t18-,20?/m0/s1
InChIKeyJHGBMEUWQYAPFJ-LROBGIAVSA-N
MW310.44 g/mol
LogP4.57
Rot. Bonds7

About [(1S)-3-[4-(3-phenylpropoxy)phenyl]cyclopentyl]methanol

[(1S)-3-[4-(3-phenylpropoxy)phenyl]cyclopentyl]methanol (PubChem CID 143710483) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is [(1S)-3-[4-(3-phenylpropoxy)phenyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S)-3-[4-(3-phenylpropoxy)phenyl]cyclopentyl]methanol
PubChem CID143710483
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name[(1S)-3-[4-(3-phenylpropoxy)phenyl]cyclopentyl]methanol
SMILESOC[C@H]1CCC(c2ccc(OCCCc3ccccc3)cc2)C1
InChIInChI=1S/C21H26O2/c22-16-18-8-9-20(15-18)19-10-12-21(13-11-19)23-14-4-7-17-5-2-1-3-6-17/h1-3,5-6,10-13,18,20,22H,4,7-9,14-16H2/t18-,20?/m0/s1
InChIKeyJHGBMEUWQYAPFJ-LROBGIAVSA-N
XLogP4.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol
CID 143710409
[3-[4-[3-(4-methoxyphenyl)propoxy]phenyl]cyclopentyl]methyl dihydrogen phosphate
CID 143710411
[(1R,3R)-1-amino-3-[4-(2-phenylethoxy)phenyl]cyclopentyl]methanol
CID 141211633
1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene
CID 102047471
3-[[(1S)-3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methoxy]-1,2,3λ5-dioxaphosphirane 3-oxide
CID 143710547
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
4-phenyl-1-[[4-(4-phenylmethoxyphenyl)cyclohexyl]amino]butan-1-ol
CID 70256391
(2,2,2-trifluoroacetyl) 3-[4-[4-(3-phenylpropoxy)phenyl]piperidin-1-yl]propanoate
CID 87179774
3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene
CID 54112131
1-cyclohexyl-4-(2-phenoxyethoxy)benzene
CID 14047825
6-[4-(4-propylcyclohexyl)phenoxy]hexan-1-ol
CID 67066834

Frequently Asked Questions

What is the IUPAC name of [(1S)-3-[4-(3-phenylpropoxy)phenyl]cyclopentyl]methanol?
The IUPAC name of [(1S)-3-[4-(3-phenylpropoxy)phenyl]cyclopentyl]methanol (CID 143710483) is [(1S)-3-[4-(3-phenylpropoxy)phenyl]cyclopentyl]methanol.
What is the SMILES notation for [(1S)-3-[4-(3-phenylpropoxy)phenyl]cyclopentyl]methanol?
The canonical SMILES for [(1S)-3-[4-(3-phenylpropoxy)phenyl]cyclopentyl]methanol is OC[C@H]1CCC(c2ccc(OCCCc3ccccc3)cc2)C1.
What is the InChIKey of [(1S)-3-[4-(3-phenylpropoxy)phenyl]cyclopentyl]methanol?
The InChIKey is JHGBMEUWQYAPFJ-LROBGIAVSA-N. The full InChI is InChI=1S/C21H26O2/c22-16-18-8-9-20(15-18)19-10-12-21(13-11-19)23-14-4-7-17-5-2-1-3-6-17/h1-3,5-6,10-13,18,20,22H,4,7-9,14-16H2/t18-,20?/m0/s1.
What are the key properties of [(1S)-3-[4-(3-phenylpropoxy)phenyl]cyclopentyl]methanol?
[(1S)-3-[4-(3-phenylpropoxy)phenyl]cyclopentyl]methanol has a molecular weight of 310.44 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-[4-(3-phenylpropoxy)phenyl]cyclopentyl]methanol is sourced from PubChem (CID 143710483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).