2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol

C16H24O2 — CID 66322023

IUPAC2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)C(C)OCC2CCCC2)cc1
InChIInChI=1S/C16H24O2/c1-12-7-9-15(10-8-12)16(17)13(2)18-11-14-5-3-4-6-14/h7-10,13-14,16-17H,3-6,11H2,1-2H3
InChIKeyDXEZQROCFUAPGS-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.62
Rot. Bonds5

About 2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol

2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol (PubChem CID 66322023) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol
PubChem CID66322023
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(C(O)C(C)OCC2CCCC2)cc1
InChIInChI=1S/C16H24O2/c1-12-7-9-15(10-8-12)16(17)13(2)18-11-14-5-3-4-6-14/h7-10,13-14,16-17H,3-6,11H2,1-2H3
InChIKeyDXEZQROCFUAPGS-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylmethoxy)-1-(4-methylphenyl)propan-1-ol
CID 62383408
2-(cyclohexylmethoxy)-1-phenylpropan-1-ol
CID 62383236
1-[2-bromo-1-(cyclopentylmethoxy)ethyl]-4-methylbenzene
CID 66321621
2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol
CID 62383931
N-[2-(cyclopentylmethoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 66322051
1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine
CID 62383299
2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol
CID 66224938
2-(cyclohexylmethoxy)-1-phenylbutan-1-ol
CID 62383401
N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylmethoxy)propan-1-amine
CID 62383540
1-(cyclopentylmethoxy)ethylbenzene
CID 90167891
4-[1-(cyclohexylmethoxy)ethyl]aniline
CID 57106208
2-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)propan-1-ol
CID 63935953

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol (CID 66322023) is 2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol is Cc1ccc(C(O)C(C)OCC2CCCC2)cc1.
What is the InChIKey of 2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol?
The InChIKey is DXEZQROCFUAPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-12-7-9-15(10-8-12)16(17)13(2)18-11-14-5-3-4-6-14/h7-10,13-14,16-17H,3-6,11H2,1-2H3.
What are the key properties of 2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol?
2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 66322023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).