(1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol

C16H24O3 — CID 116753198

IUPAC(1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol
SMILESCCOc1cccc(C(O)C2(OCC)CCCC2)c1
InChIInChI=1S/C16H24O3/c1-3-18-14-9-7-8-13(12-14)15(17)16(19-4-2)10-5-6-11-16/h7-9,12,15,17H,3-6,10-11H2,1-2H3
InChIKeyBVHPBZXIRWRKBU-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.47
Rot. Bonds6

About (1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol

(1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol (PubChem CID 116753198) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is (1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol.

Molecular Properties

Compound Name(1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol
PubChem CID116753198
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name(1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol
SMILESCCOc1cccc(C(O)C2(OCC)CCCC2)c1
InChIInChI=1S/C16H24O3/c1-3-18-14-9-7-8-13(12-14)15(17)16(19-4-2)10-5-6-11-16/h7-9,12,15,17H,3-6,10-11H2,1-2H3
InChIKeyBVHPBZXIRWRKBU-UHFFFAOYSA-N
XLogP3.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol
CID 116754822
(1-ethoxycyclohexyl)-pyridin-3-ylmethanol
CID 116753647
(1-ethoxycyclopentyl)-(4-methylphenyl)methanol
CID 116753072
(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine
CID 116763600
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-ethoxyphenyl)methanol
CID 79126025
(3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methanol
CID 116756160
(1-ethoxycycloheptyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128630
(3,5-difluorophenyl)-(1-ethoxycycloheptyl)methanol
CID 116756092
chloro-(3-ethoxyphenyl)methanol
CID 141156919
(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanol
CID 114521465
1-(3-ethoxyphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105022410
(2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753674

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol?
The IUPAC name of (1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol (CID 116753198) is (1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol.
What is the SMILES notation for (1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol?
The canonical SMILES for (1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol is CCOc1cccc(C(O)C2(OCC)CCCC2)c1.
What is the InChIKey of (1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol?
The InChIKey is BVHPBZXIRWRKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-18-14-9-7-8-13(12-14)15(17)16(19-4-2)10-5-6-11-16/h7-9,12,15,17H,3-6,10-11H2,1-2H3.
What are the key properties of (1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol?
(1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol has a molecular weight of 264.37 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol is sourced from PubChem (CID 116753198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).