4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol

C18H28O — CID 65085797

IUPAC4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol
SMILESCCCc1ccc(C2(O)CCCC(C)(C)CC2)cc1
InChIInChI=1S/C18H28O/c1-4-6-15-7-9-16(10-8-15)18(19)12-5-11-17(2,3)13-14-18/h7-10,19H,4-6,11-14H2,1-3H3
InChIKeyQLXREXFZQGQADS-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.82
Rot. Bonds3

About 4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol

4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol (PubChem CID 65085797) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol
PubChem CID65085797
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol
SMILESCCCc1ccc(C2(O)CCCC(C)(C)CC2)cc1
InChIInChI=1S/C18H28O/c1-4-6-15-7-9-16(10-8-15)18(19)12-5-11-17(2,3)13-14-18/h7-10,19H,4-6,11-14H2,1-3H3
InChIKeyQLXREXFZQGQADS-UHFFFAOYSA-N
XLogP4.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-propylphenyl)cyclobutan-1-ol
CID 79080570
1-(4-propylphenyl)cyclopentan-1-ol
CID 62802063
8-(4-propylphenyl)-1,4-dioxaspiro[4.6]undecan-8-ol
CID 145005903
4-(4-propylphenyl)oxepan-4-ol
CID 65080658
4-propan-2-yl-1-(4-propylphenyl)cyclohexan-1-ol
CID 63406977
1-(3,4-difluorophenyl)-4,4-dimethylcycloheptan-1-ol
CID 65086098
3-(4-propylphenyl)thietan-3-ol
CID 130914921
3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol
CID 116542580
1-(3,4-dichlorophenyl)-4,4-dimethylcycloheptan-1-ol
CID 65085693
methyl 4-hydroxy-4-(4-propylphenyl)cyclohexane-1-carboxylate
CID 19986751
1-[4-hydroxy-4-(4-propylphenyl)cyclohexyl]-4-(4-propylphenyl)cyclohexan-1-ol
CID 86228586
1-(4-ethylphenyl)-4-methylcycloheptan-1-ol
CID 65085121

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol?
The IUPAC name of 4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol (CID 65085797) is 4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol is CCCc1ccc(C2(O)CCCC(C)(C)CC2)cc1.
What is the InChIKey of 4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol?
The InChIKey is QLXREXFZQGQADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-4-6-15-7-9-16(10-8-15)18(19)12-5-11-17(2,3)13-14-18/h7-10,19H,4-6,11-14H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol?
4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol is sourced from PubChem (CID 65085797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).