(2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol

C16H24O2 — CID 107191971

IUPAC(2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol
SMILESCOc1ccccc1C(O)C1CCCCC1(C)C
InChIInChI=1S/C16H24O2/c1-16(2)11-7-6-9-13(16)15(17)12-8-4-5-10-14(12)18-3/h4-5,8,10,13,15,17H,6-7,9,11H2,1-3H3
InChIKeyWARCHXZDNDRVQS-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.94
Rot. Bonds3

About (2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol

(2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol (PubChem CID 107191971) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol
PubChem CID107191971
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol
SMILESCOc1ccccc1C(O)C1CCCCC1(C)C
InChIInChI=1S/C16H24O2/c1-16(2)11-7-6-9-13(16)15(17)12-8-4-5-10-14(12)18-3/h4-5,8,10,13,15,17H,6-7,9,11H2,1-3H3
InChIKeyWARCHXZDNDRVQS-UHFFFAOYSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethylcyclohexyl)-(2-ethoxyphenyl)methanol
CID 107192228
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107181861
(2,2-dimethylcyclopentyl)-(4-methoxynaphthalen-1-yl)methanol
CID 107181495
(3-bromo-2,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107181873
(2,2-dimethylcyclohexyl)-(furan-2-yl)methanol
CID 107192265
(3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107193133
(2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 107181845
(2,2-dimethylcyclohexyl)-naphthalen-2-ylmethanol
CID 107192209
(2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol
CID 107181750
1-(2,2-dimethylcyclohexyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107177273
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107178190
[(3aS,7aS)-1,3-dimethyl-2-oxido-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-ium-2-yl]-(2-methoxyphenyl)methanol
CID 100941312

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol?
The IUPAC name of (2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol (CID 107191971) is (2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol is COc1ccccc1C(O)C1CCCCC1(C)C.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol?
The InChIKey is WARCHXZDNDRVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-16(2)11-7-6-9-13(16)15(17)12-8-4-5-10-14(12)18-3/h4-5,8,10,13,15,17H,6-7,9,11H2,1-3H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol?
(2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol has a molecular weight of 248.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol is sourced from PubChem (CID 107191971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).