2-methyl-1-(4-propan-2-ylphenyl)heptan-2-ol

C17H28O — CID 80557871

IUPAC2-methyl-1-(4-propan-2-ylphenyl)heptan-2-ol
SMILESCCCCCC(C)(O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C17H28O/c1-5-6-7-12-17(4,18)13-15-8-10-16(11-9-15)14(2)3/h8-11,14,18H,5-7,12-13H2,1-4H3
InChIKeyPHVBUCPDQLCMLM-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.68
Rot. Bonds7

About 2-methyl-1-(4-propan-2-ylphenyl)heptan-2-ol

2-methyl-1-(4-propan-2-ylphenyl)heptan-2-ol (PubChem CID 80557871) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-methyl-1-(4-propan-2-ylphenyl)heptan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(4-propan-2-ylphenyl)heptan-2-ol
PubChem CID80557871
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name2-methyl-1-(4-propan-2-ylphenyl)heptan-2-ol
SMILESCCCCCC(C)(O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C17H28O/c1-5-6-7-12-17(4,18)13-15-8-10-16(11-9-15)14(2)3/h8-11,14,18H,5-7,12-13H2,1-4H3
InChIKeyPHVBUCPDQLCMLM-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-2-methyl-3-(4-propan-2-ylphenyl)propan-2-ol
CID 65147096
1-[4-(2-hydroxy-2-methyldodecyl)phenyl]propan-1-one
CID 57165763
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943
1-[2,2-dimethyl-3-(4-propan-2-ylphenyl)heptyl]-4-ethylbenzene
CID 173342706
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
1-(2-chloro-3-fluorophenyl)-2-methylheptan-2-ol
CID 112653134
1-(2-methylheptan-2-ylperoxy)-4-propan-2-ylbenzene
CID 101301269
N,2-dimethyl-2-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 63509418
1-(5-chlorothiophen-2-yl)-2-methylheptan-2-ol
CID 80557726
N,2-diethyl-2-[(4-propan-2-ylphenyl)methyl]hexan-1-amine
CID 63509469
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-propan-2-ylphenyl)heptan-2-ol?
The IUPAC name of 2-methyl-1-(4-propan-2-ylphenyl)heptan-2-ol (CID 80557871) is 2-methyl-1-(4-propan-2-ylphenyl)heptan-2-ol.
What is the SMILES notation for 2-methyl-1-(4-propan-2-ylphenyl)heptan-2-ol?
The canonical SMILES for 2-methyl-1-(4-propan-2-ylphenyl)heptan-2-ol is CCCCCC(C)(O)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-1-(4-propan-2-ylphenyl)heptan-2-ol?
The InChIKey is PHVBUCPDQLCMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-5-6-7-12-17(4,18)13-15-8-10-16(11-9-15)14(2)3/h8-11,14,18H,5-7,12-13H2,1-4H3.
What are the key properties of 2-methyl-1-(4-propan-2-ylphenyl)heptan-2-ol?
2-methyl-1-(4-propan-2-ylphenyl)heptan-2-ol has a molecular weight of 248.41 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-propan-2-ylphenyl)heptan-2-ol is sourced from PubChem (CID 80557871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).