1-(3,4-diethoxyphenyl)-3,4-dimethylcyclohexan-1-ol

C18H28O3 — CID 64746862

IUPAC1-(3,4-diethoxyphenyl)-3,4-dimethylcyclohexan-1-ol
SMILESCCOc1ccc(C2(O)CCC(C)C(C)C2)cc1OCC
InChIInChI=1S/C18H28O3/c1-5-20-16-8-7-15(11-17(16)21-6-2)18(19)10-9-13(3)14(4)12-18/h7-8,11,13-14,19H,5-6,9-10,12H2,1-4H3
InChIKeyZPTZKZAKZJQHMU-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.13
Rot. Bonds5

About 1-(3,4-diethoxyphenyl)-3,4-dimethylcyclohexan-1-ol

1-(3,4-diethoxyphenyl)-3,4-dimethylcyclohexan-1-ol (PubChem CID 64746862) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-3,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-3,4-dimethylcyclohexan-1-ol
PubChem CID64746862
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name1-(3,4-diethoxyphenyl)-3,4-dimethylcyclohexan-1-ol
SMILESCCOc1ccc(C2(O)CCC(C)C(C)C2)cc1OCC
InChIInChI=1S/C18H28O3/c1-5-20-16-8-7-15(11-17(16)21-6-2)18(19)10-9-13(3)14(4)12-18/h7-8,11,13-14,19H,5-6,9-10,12H2,1-4H3
InChIKeyZPTZKZAKZJQHMU-UHFFFAOYSA-N
XLogP4.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-diethoxyphenyl)-3,5-dimethylcyclohexan-1-ol
CID 64735758
1-(3,4-diethoxyphenyl)-2,3-dimethylcyclohexan-1-ol
CID 64756632
1-(3,4-diethoxyphenyl)-4-methylcyclohexan-1-amine
CID 62788660
1-(3,4-dimethoxyphenyl)-3-ethylcyclopentan-1-ol
CID 64513841
4-(3,4-diethoxyphenyl)-3-methylpiperidin-4-ol
CID 114501902
1-(3,4-diethoxyphenyl)cyclopropan-1-amine
CID 116989285
1-(3,4-diethoxyphenyl)-4-methylcycloheptan-1-amine
CID 65081082
1-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dimethylcyclohexan-1-ol
CID 113425025
3-amino-1-(4-ethoxyphenyl)cyclopentan-1-ol
CID 80561943
(3S,6R)-1-benzyl-3-[3,4-bis(phenylmethoxy)phenyl]-6-methylpiperidin-3-ol
CID 10601243
1-(3-methoxy-2-pyridinyl)-3,4-dimethylcyclohexan-1-ol
CID 114053631
1-(3,4-diethoxyphenyl)-3,3-dimethylcyclopentan-1-amine
CID 80693589

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-3,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(3,4-diethoxyphenyl)-3,4-dimethylcyclohexan-1-ol (CID 64746862) is 1-(3,4-diethoxyphenyl)-3,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-3,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-3,4-dimethylcyclohexan-1-ol is CCOc1ccc(C2(O)CCC(C)C(C)C2)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-3,4-dimethylcyclohexan-1-ol?
The InChIKey is ZPTZKZAKZJQHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-5-20-16-8-7-15(11-17(16)21-6-2)18(19)10-9-13(3)14(4)12-18/h7-8,11,13-14,19H,5-6,9-10,12H2,1-4H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-3,4-dimethylcyclohexan-1-ol?
1-(3,4-diethoxyphenyl)-3,4-dimethylcyclohexan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-3,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64746862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).