1-[(2,5-dimethylphenyl)methyl]-4,4-dimethylcycloheptan-1-ol

C18H28O — CID 65085641

IUPAC1-[(2,5-dimethylphenyl)methyl]-4,4-dimethylcycloheptan-1-ol
SMILESCc1ccc(C)c(CC2(O)CCCC(C)(C)CC2)c1
InChIInChI=1S/C18H28O/c1-14-6-7-15(2)16(12-14)13-18(19)9-5-8-17(3,4)10-11-18/h6-7,12,19H,5,8-11,13H2,1-4H3
InChIKeyUGUFGECSRSQTRR-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.57
Rot. Bonds2

About 1-[(2,5-dimethylphenyl)methyl]-4,4-dimethylcycloheptan-1-ol

1-[(2,5-dimethylphenyl)methyl]-4,4-dimethylcycloheptan-1-ol (PubChem CID 65085641) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-4,4-dimethylcycloheptan-1-ol.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-4,4-dimethylcycloheptan-1-ol
PubChem CID65085641
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-4,4-dimethylcycloheptan-1-ol
SMILESCc1ccc(C)c(CC2(O)CCCC(C)(C)CC2)c1
InChIInChI=1S/C18H28O/c1-14-6-7-15(2)16(12-14)13-18(19)9-5-8-17(3,4)10-11-18/h6-7,12,19H,5,8-11,13H2,1-4H3
InChIKeyUGUFGECSRSQTRR-UHFFFAOYSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-[(2,5-dimethylphenyl)methyl]spiro[4.5]decan-8-ol
CID 114819189
1-[(2,5-dimethylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 54958001
4,4-dimethyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
CID 65085894
3-amino-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 80561179
1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-ol
CID 105372690
3-[(2,5-dimethylphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 62977270
1-[(4-bromo-2-fluorophenyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 65151955
1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336
1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol
CID 106866034
2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 63407081
1-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]cyclopropan-1-ol
CID 117318601
[1-[(2,5-dimethylphenyl)methyl]cyclopentyl]methanamine
CID 62725292

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-4,4-dimethylcycloheptan-1-ol?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-4,4-dimethylcycloheptan-1-ol (CID 65085641) is 1-[(2,5-dimethylphenyl)methyl]-4,4-dimethylcycloheptan-1-ol.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-4,4-dimethylcycloheptan-1-ol?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-4,4-dimethylcycloheptan-1-ol is Cc1ccc(C)c(CC2(O)CCCC(C)(C)CC2)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-4,4-dimethylcycloheptan-1-ol?
The InChIKey is UGUFGECSRSQTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-14-6-7-15(2)16(12-14)13-18(19)9-5-8-17(3,4)10-11-18/h6-7,12,19H,5,8-11,13H2,1-4H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-4,4-dimethylcycloheptan-1-ol?
1-[(2,5-dimethylphenyl)methyl]-4,4-dimethylcycloheptan-1-ol has a molecular weight of 260.42 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-4,4-dimethylcycloheptan-1-ol is sourced from PubChem (CID 65085641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).