(2-cyclopentyl-1,3-dimethoxypropan-2-yl)benzene

C16H24O2 — CID 150061832

IUPAC(2-cyclopentyl-1,3-dimethoxypropan-2-yl)benzene
SMILESCOCC(COC)(c1ccccc1)C1CCCC1
InChIInChI=1S/C16H24O2/c1-17-12-16(13-18-2,15-10-6-7-11-15)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13H2,1-2H3
InChIKeyDNLOWTVPRMWGIH-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.41
Rot. Bonds6

About (2-cyclopentyl-1,3-dimethoxypropan-2-yl)benzene

(2-cyclopentyl-1,3-dimethoxypropan-2-yl)benzene (PubChem CID 150061832) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (2-cyclopentyl-1,3-dimethoxypropan-2-yl)benzene.

Molecular Properties

Compound Name(2-cyclopentyl-1,3-dimethoxypropan-2-yl)benzene
PubChem CID150061832
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(2-cyclopentyl-1,3-dimethoxypropan-2-yl)benzene
SMILESCOCC(COC)(c1ccccc1)C1CCCC1
InChIInChI=1S/C16H24O2/c1-17-12-16(13-18-2,15-10-6-7-11-15)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13H2,1-2H3
InChIKeyDNLOWTVPRMWGIH-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 139927519
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CID 82945804
2-cycloheptyl-N-methyl-2-phenylbutan-1-amine
CID 82933987
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 71260606
2-cyclopentyl-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 10515617
2-cyclohexyl-2-methyl-1,1-diphenylbutan-1-ol
CID 4068699
4-cyclopropyl-1-methoxy-2-phenylbutan-2-ol
CID 106590643
2-(cyclopentylamino)-3-methoxy-2-phenylpropanamide
CID 103464910
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
[2-methoxy-1-(2-methylidenecyclohexyl)-1-nitrosoethyl]benzene
CID 163415997

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentyl-1,3-dimethoxypropan-2-yl)benzene?
The IUPAC name of (2-cyclopentyl-1,3-dimethoxypropan-2-yl)benzene (CID 150061832) is (2-cyclopentyl-1,3-dimethoxypropan-2-yl)benzene.
What is the SMILES notation for (2-cyclopentyl-1,3-dimethoxypropan-2-yl)benzene?
The canonical SMILES for (2-cyclopentyl-1,3-dimethoxypropan-2-yl)benzene is COCC(COC)(c1ccccc1)C1CCCC1.
What is the InChIKey of (2-cyclopentyl-1,3-dimethoxypropan-2-yl)benzene?
The InChIKey is DNLOWTVPRMWGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-17-12-16(13-18-2,15-10-6-7-11-15)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13H2,1-2H3.
What are the key properties of (2-cyclopentyl-1,3-dimethoxypropan-2-yl)benzene?
(2-cyclopentyl-1,3-dimethoxypropan-2-yl)benzene has a molecular weight of 248.37 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentyl-1,3-dimethoxypropan-2-yl)benzene is sourced from PubChem (CID 150061832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).