1-(2,4-dimethylphenyl)-4-ethylcycloheptan-1-ol

C17H26O — CID 65085735

IUPAC1-(2,4-dimethylphenyl)-4-ethylcycloheptan-1-ol
SMILESCCC1CCCC(O)(c2ccc(C)cc2C)CC1
InChIInChI=1S/C17H26O/c1-4-15-6-5-10-17(18,11-9-15)16-8-7-13(2)12-14(16)3/h7-8,12,15,18H,4-6,9-11H2,1-3H3
InChIKeyQGBVUADUFYYQIX-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.48
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-4-ethylcycloheptan-1-ol

1-(2,4-dimethylphenyl)-4-ethylcycloheptan-1-ol (PubChem CID 65085735) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-ethylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-ethylcycloheptan-1-ol
PubChem CID65085735
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-(2,4-dimethylphenyl)-4-ethylcycloheptan-1-ol
SMILESCCC1CCCC(O)(c2ccc(C)cc2C)CC1
InChIInChI=1S/C17H26O/c1-4-15-6-5-10-17(18,11-9-15)16-8-7-13(2)12-14(16)3/h7-8,12,15,18H,4-6,9-11H2,1-3H3
InChIKeyQGBVUADUFYYQIX-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-1-(2,4,5-trimethylphenyl)cycloheptan-1-ol
CID 65086189
4-ethyl-1-(3-methylphenyl)cycloheptan-1-ol
CID 65085535
4-ethyl-1-(4-methoxy-2-methylphenyl)cyclohexan-1-ol
CID 65313174
1-(2,4-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63406861
4-ethyl-1-(4-fluoro-3-methylphenyl)cycloheptan-1-ol
CID 65086040
4-ethyl-1-(3-fluoro-4-methylphenyl)cycloheptan-1-ol
CID 107128079
4-ethyl-1-phenylcycloheptan-1-ol
CID 65085687
4-(2,4-dimethylphenyl)-1-ethylpiperidin-4-ol
CID 62801498
4-ethyl-1-(2-methoxy-3,4-dimethylphenyl)cyclohexan-1-ol
CID 103432415
1-(2-amino-3-pyridinyl)-4-ethylcycloheptan-1-ol
CID 65085479
4-ethyl-1-thiophen-3-ylcycloheptan-1-ol
CID 65099566
1-(2,4-dimethylphenyl)-2-ethylcyclopropan-1-ol
CID 79332918

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-ethylcycloheptan-1-ol?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-ethylcycloheptan-1-ol (CID 65085735) is 1-(2,4-dimethylphenyl)-4-ethylcycloheptan-1-ol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-ethylcycloheptan-1-ol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-ethylcycloheptan-1-ol is CCC1CCCC(O)(c2ccc(C)cc2C)CC1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-ethylcycloheptan-1-ol?
The InChIKey is QGBVUADUFYYQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-4-15-6-5-10-17(18,11-9-15)16-8-7-13(2)12-14(16)3/h7-8,12,15,18H,4-6,9-11H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-4-ethylcycloheptan-1-ol?
1-(2,4-dimethylphenyl)-4-ethylcycloheptan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-ethylcycloheptan-1-ol is sourced from PubChem (CID 65085735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).