(2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol

C18H28O2 — CID 107181845

IUPAC(2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol
SMILESCOc1c(C)cc(C(O)C2CCCCC2(C)C)cc1C
InChIInChI=1S/C18H28O2/c1-12-10-14(11-13(2)17(12)20-5)16(19)15-8-6-7-9-18(15,3)4/h10-11,15-16,19H,6-9H2,1-5H3
InChIKeyBHNOCTMBYNWVBT-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.56
Rot. Bonds3

About (2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol

(2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol (PubChem CID 107181845) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol
PubChem CID107181845
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name(2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol
SMILESCOc1c(C)cc(C(O)C2CCCCC2(C)C)cc1C
InChIInChI=1S/C18H28O2/c1-12-10-14(11-13(2)17(12)20-5)16(19)15-8-6-7-9-18(15,3)4/h10-11,15-16,19H,6-9H2,1-5H3
InChIKeyBHNOCTMBYNWVBT-UHFFFAOYSA-N
XLogP4.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethylcyclopentyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 107178150
(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107193010
(3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107192212
(4-methoxy-3,5-dimethylphenyl)-(2-methylcyclopentyl)methanol
CID 107181847
(2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol
CID 107191971
(3-bromo-2,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107181873
(2,2-dimethylcyclohexyl)-naphthalen-2-ylmethanol
CID 107192209
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107181861
1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 107182324
(1-aminocyclopropyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 116836231
(2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol
CID 107191966
(2,2-dimethylcyclopentyl)-(4-methoxynaphthalen-1-yl)methanol
CID 107181495

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol?
The IUPAC name of (2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol (CID 107181845) is (2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol is COc1c(C)cc(C(O)C2CCCCC2(C)C)cc1C.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol?
The InChIKey is BHNOCTMBYNWVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-12-10-14(11-13(2)17(12)20-5)16(19)15-8-6-7-9-18(15,3)4/h10-11,15-16,19H,6-9H2,1-5H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol?
(2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol has a molecular weight of 276.42 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanol is sourced from PubChem (CID 107181845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).