(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanol

C18H26O3 — CID 114521465

IUPAC(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanol
SMILESCOC1(C(O)c2cccc(OC3CC3)c2)CCCCCC1
InChIInChI=1S/C18H26O3/c1-20-18(11-4-2-3-5-12-18)17(19)14-7-6-8-16(13-14)21-15-9-10-15/h6-8,13,15,17,19H,2-5,9-12H2,1H3
InChIKeyIBYXBXXSYCAYJH-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.00
Rot. Bonds5

About (3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanol

(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanol (PubChem CID 114521465) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanol.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanol
PubChem CID114521465
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanol
SMILESCOC1(C(O)c2cccc(OC3CC3)c2)CCCCCC1
InChIInChI=1S/C18H26O3/c1-20-18(11-4-2-3-5-12-18)17(19)14-7-6-8-16(13-14)21-15-9-10-15/h6-8,13,15,17,19H,2-5,9-12H2,1H3
InChIKeyIBYXBXXSYCAYJH-UHFFFAOYSA-N
XLogP4.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclobutylphenyl)-(1-methoxycyclohexyl)methanol
CID 114602493
(1-methoxycyclohexyl)-phenylmethanol
CID 116753267
1-[amino-(3-cyclopropyloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 114521860
(1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol
CID 116753198
(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methanol
CID 107193013
(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanone
CID 114521285
(3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol
CID 116755791
(3-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191370
7-bicyclo[4.1.0]heptanyl-(3-cyclopropyloxyphenyl)methanol
CID 115838516
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
2-amino-1-(3-cyclohexyloxyphenyl)ethanol
CID 83824323
1-(3-cyclopropyloxyphenyl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105051822

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanol?
The IUPAC name of (3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanol (CID 114521465) is (3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanol.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanol?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanol is COC1(C(O)c2cccc(OC3CC3)c2)CCCCCC1.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanol?
The InChIKey is IBYXBXXSYCAYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-20-18(11-4-2-3-5-12-18)17(19)14-7-6-8-16(13-14)21-15-9-10-15/h6-8,13,15,17,19H,2-5,9-12H2,1H3.
What are the key properties of (3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanol?
(3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanol has a molecular weight of 290.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(1-methoxycycloheptyl)methanol is sourced from PubChem (CID 114521465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).