(3-cyclopropyloxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol

C18H24O2 — CID 103277476

IUPAC(3-cyclopropyloxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol
SMILESCC1=CC(C)CC(C(O)c2cccc(OC3CC3)c2)C1
InChIInChI=1S/C18H24O2/c1-12-8-13(2)10-15(9-12)18(19)14-4-3-5-17(11-14)20-16-6-7-16/h3-5,8,11-12,15-16,18-19H,6-7,9-10H2,1-2H3
InChIKeyWYWUUEKOZRXTGN-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.25
Rot. Bonds4

About (3-cyclopropyloxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol

(3-cyclopropyloxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol (PubChem CID 103277476) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol
PubChem CID103277476
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name(3-cyclopropyloxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol
SMILESCC1=CC(C)CC(C(O)c2cccc(OC3CC3)c2)C1
InChIInChI=1S/C18H24O2/c1-12-8-13(2)10-15(9-12)18(19)14-4-3-5-17(11-14)20-16-6-7-16/h3-5,8,11-12,15-16,18-19H,6-7,9-10H2,1-2H3
InChIKeyWYWUUEKOZRXTGN-UHFFFAOYSA-N
XLogP4.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methanol
CID 107193013
(3-chloro-4-methylphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol
CID 107559711
(3,5-dimethylcyclohex-3-en-1-yl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 103277657
7-bicyclo[4.1.0]heptanyl-(3-cyclopropyloxyphenyl)methanol
CID 115838516
(3,5-dimethylcyclohex-3-en-1-yl)-quinolin-6-ylmethanol
CID 103277579
(3,5-dimethylcyclohex-3-en-1-yl)-(furan-3-yl)methanol
CID 103277555
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanol
CID 114521308
1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)ethanol
CID 114521316
(3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol
CID 115838445
(3-cyclopropyloxyphenyl)-(2,4-dimethylphenyl)methanol
CID 114520837
(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol
CID 115838435
(3-ethoxyphenyl)-(4-methylcyclohexyl)methanol
CID 64749184

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The IUPAC name of (3-cyclopropyloxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol (CID 103277476) is (3-cyclopropyloxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol is CC1=CC(C)CC(C(O)c2cccc(OC3CC3)c2)C1.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
The InChIKey is WYWUUEKOZRXTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-12-8-13(2)10-15(9-12)18(19)14-4-3-5-17(11-14)20-16-6-7-16/h3-5,8,11-12,15-16,18-19H,6-7,9-10H2,1-2H3.
What are the key properties of (3-cyclopropyloxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol?
(3-cyclopropyloxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol has a molecular weight of 272.39 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(3,5-dimethylcyclohex-3-en-1-yl)methanol is sourced from PubChem (CID 103277476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).