1-(3-ethoxyphenyl)-2,2-dimethylcyclohexan-1-ol;hydrochloride

C16H25ClO2 — CID 67640778

IUPAC1-(3-ethoxyphenyl)-2,2-dimethylcyclohexan-1-ol;hydrochloride
SMILESCCOc1cccc(C2(O)CCCCC2(C)C)c1.Cl
InChIInChI=1S/C16H24O2.ClH/c1-4-18-14-9-7-8-13(12-14)16(17)11-6-5-10-15(16,2)3;/h7-9,12,17H,4-6,10-11H2,1-3H3;1H
InChIKeyJJCJIHBGWWQCCX-UHFFFAOYSA-N
MW284.83 g/mol
LogP4.29
Rot. Bonds3

About 1-(3-ethoxyphenyl)-2,2-dimethylcyclohexan-1-ol;hydrochloride

1-(3-ethoxyphenyl)-2,2-dimethylcyclohexan-1-ol;hydrochloride (PubChem CID 67640778) has the molecular formula C16H25ClO2 and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-2,2-dimethylcyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-2,2-dimethylcyclohexan-1-ol;hydrochloride
PubChem CID67640778
Molecular FormulaC16H25ClO2
Molecular Weight284.83 g/mol
Exact Mass284.15
IUPAC Name1-(3-ethoxyphenyl)-2,2-dimethylcyclohexan-1-ol;hydrochloride
SMILESCCOc1cccc(C2(O)CCCCC2(C)C)c1.Cl
InChIInChI=1S/C16H24O2.ClH/c1-4-18-14-9-7-8-13(12-14)16(17)11-6-5-10-15(16,2)3;/h7-9,12,17H,4-6,10-11H2,1-3H3;1H
InChIKeyJJCJIHBGWWQCCX-UHFFFAOYSA-N
XLogP4.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxyphenyl)cyclopentan-1-amine
CID 79420806
2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol
CID 116542681
2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol
CID 79853464
1-(3-ethoxyphenyl)-2,4,4-trimethylcyclohexan-1-ol
CID 81314856
3-(3-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 81468134
2-[4-(3-ethoxyphenyl)-1-methylpiperidin-4-yl]propan-2-ol
CID 13363439
(1-ethoxycyclopentyl)-(3-ethoxyphenyl)methanol
CID 116753198
6-(3-methoxyphenyl)-1-methyl-1-azaspiro[4.5]decan-6-ol
CID 141465392
1-ethoxy-3-(1-isocyanatocyclopropyl)benzene
CID 105455219
3-(4-ethoxyphenyl)-4,4-dimethylthian-3-ol
CID 79955357
1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60908745
trans-(1S,3R)-3-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-2,2-dimethylcycloheptan-1-ol
CID 163525508

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-2,2-dimethylcyclohexan-1-ol;hydrochloride?
The IUPAC name of 1-(3-ethoxyphenyl)-2,2-dimethylcyclohexan-1-ol;hydrochloride (CID 67640778) is 1-(3-ethoxyphenyl)-2,2-dimethylcyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 1-(3-ethoxyphenyl)-2,2-dimethylcyclohexan-1-ol;hydrochloride?
The canonical SMILES for 1-(3-ethoxyphenyl)-2,2-dimethylcyclohexan-1-ol;hydrochloride is CCOc1cccc(C2(O)CCCCC2(C)C)c1.Cl.
What is the InChIKey of 1-(3-ethoxyphenyl)-2,2-dimethylcyclohexan-1-ol;hydrochloride?
The InChIKey is JJCJIHBGWWQCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2.ClH/c1-4-18-14-9-7-8-13(12-14)16(17)11-6-5-10-15(16,2)3;/h7-9,12,17H,4-6,10-11H2,1-3H3;1H.
What are the key properties of 1-(3-ethoxyphenyl)-2,2-dimethylcyclohexan-1-ol;hydrochloride?
1-(3-ethoxyphenyl)-2,2-dimethylcyclohexan-1-ol;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-2,2-dimethylcyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 67640778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).