(2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol

C17H26O2 — CID 116755970

IUPAC(2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol
SMILESCOC1(C(O)c2cccc(C)c2C)CCCCCC1
InChIInChI=1S/C17H26O2/c1-13-9-8-10-15(14(13)2)16(18)17(19-3)11-6-4-5-7-12-17/h8-10,16,18H,4-7,11-12H2,1-3H3
InChIKeyFOXTZJLSUJWFLS-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.08
Rot. Bonds3

About (2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol

(2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol (PubChem CID 116755970) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol
PubChem CID116755970
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol
SMILESCOC1(C(O)c2cccc(C)c2C)CCCCCC1
InChIInChI=1S/C17H26O2/c1-13-9-8-10-15(14(13)2)16(18)17(19-3)11-6-4-5-7-12-17/h8-10,16,18H,4-7,11-12H2,1-3H3
InChIKeyFOXTZJLSUJWFLS-UHFFFAOYSA-N
XLogP4.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116755788
(2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol
CID 116755770
(2-chlorophenyl)-(1-methoxycyclopentyl)methanol
CID 104610373
(1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol
CID 116756007
[1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol
CID 79137587
(1-methoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanol
CID 116753417
(2-fluoro-3-methoxyphenyl)-(1-methoxycyclopentyl)methanol
CID 104610503
(1-methoxycyclohexyl)-phenylmethanol
CID 116753267
(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanol
CID 106645189
(1-methoxycyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 116753305
(5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol
CID 116756025
(2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116756000

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol?
The IUPAC name of (2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol (CID 116755970) is (2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol.
What is the SMILES notation for (2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol?
The canonical SMILES for (2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol is COC1(C(O)c2cccc(C)c2C)CCCCCC1.
What is the InChIKey of (2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol?
The InChIKey is FOXTZJLSUJWFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-13-9-8-10-15(14(13)2)16(18)17(19-3)11-6-4-5-7-12-17/h8-10,16,18H,4-7,11-12H2,1-3H3.
What are the key properties of (2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol?
(2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol has a molecular weight of 262.39 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol is sourced from PubChem (CID 116755970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).