1-(3,4-dimethoxyphenyl)-3-ethylcyclopentan-1-ol

C15H22O3 — CID 64513841

IUPAC1-(3,4-dimethoxyphenyl)-3-ethylcyclopentan-1-ol
SMILESCCC1CCC(O)(c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C15H22O3/c1-4-11-7-8-15(16,10-11)12-5-6-13(17-2)14(9-12)18-3/h5-6,9,11,16H,4,7-8,10H2,1-3H3
InChIKeyBDYQKYAONLVPFS-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.10
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-3-ethylcyclopentan-1-ol

1-(3,4-dimethoxyphenyl)-3-ethylcyclopentan-1-ol (PubChem CID 64513841) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-ethylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-ethylcyclopentan-1-ol
PubChem CID64513841
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-(3,4-dimethoxyphenyl)-3-ethylcyclopentan-1-ol
SMILESCCC1CCC(O)(c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C15H22O3/c1-4-11-7-8-15(16,10-11)12-5-6-13(17-2)14(9-12)18-3/h5-6,9,11,16H,4,7-8,10H2,1-3H3
InChIKeyBDYQKYAONLVPFS-UHFFFAOYSA-N
XLogP3.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756534
1-(3,4-dimethoxyphenyl)-3-methoxycyclobutan-1-ol
CID 106823852
3-ethyl-1-(5-methyl-3-pyridinyl)cyclopentan-1-ol
CID 115373727
1-(3,4-diethoxyphenyl)-3,4-dimethylcyclohexan-1-ol
CID 64746862
1-(3,4-dimethoxyphenyl)-2-ethylcyclopropan-1-amine
CID 79333872
1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclopentan-1-ol
CID 64514304
1-(2-ethoxyphenyl)-3-ethylcyclopentan-1-ol
CID 64514301
3-ethyl-1-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 65149488
7-(3,4-dimethoxyphenyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171955199
1-[3-methoxy-4-(oxan-4-yloxy)phenyl]cyclopropan-1-ol
CID 117415265
2-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 62788137
3-(3,4-dimethoxyphenyl)-1,1-dioxothiolan-3-ol
CID 55159886

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-ethylcyclopentan-1-ol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-ethylcyclopentan-1-ol (CID 64513841) is 1-(3,4-dimethoxyphenyl)-3-ethylcyclopentan-1-ol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-ethylcyclopentan-1-ol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-ethylcyclopentan-1-ol is CCC1CCC(O)(c2ccc(OC)c(OC)c2)C1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-ethylcyclopentan-1-ol?
The InChIKey is BDYQKYAONLVPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-11-7-8-15(16,10-11)12-5-6-13(17-2)14(9-12)18-3/h5-6,9,11,16H,4,7-8,10H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-ethylcyclopentan-1-ol?
1-(3,4-dimethoxyphenyl)-3-ethylcyclopentan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-ethylcyclopentan-1-ol is sourced from PubChem (CID 64513841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).