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

C16H26O — CID 114211492

IUPAC4,4-dimethyl-1-(4-propylphenyl)pentan-1-ol
SMILESCCCc1ccc(C(O)CCC(C)(C)C)cc1
InChIInChI=1S/C16H26O/c1-5-6-13-7-9-14(10-8-13)15(17)11-12-16(2,3)4/h7-10,15,17H,5-6,11-12H2,1-4H3
InChIKeyBRGHPDMDVQVPFW-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.50
Rot. Bonds5

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

4,4-dimethyl-1-(4-propylphenyl)pentan-1-ol (PubChem CID 114211492) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 4,4-dimethyl-1-(4-propylphenyl)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(4-propylphenyl)pentan-1-ol
PubChem CID114211492
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name4,4-dimethyl-1-(4-propylphenyl)pentan-1-ol
SMILESCCCc1ccc(C(O)CCC(C)(C)C)cc1
InChIInChI=1S/C16H26O/c1-5-6-13-7-9-14(10-8-13)15(17)11-12-16(2,3)4/h7-10,15,17H,5-6,11-12H2,1-4H3
InChIKeyBRGHPDMDVQVPFW-UHFFFAOYSA-N
XLogP4.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-4,4-dimethylpentan-1-ol
CID 62608151
3-(methylamino)-1-(4-propylphenyl)propan-1-ol
CID 112509803
5-hydroxy-5-(4-propylphenyl)pentanoic acid
CID 43117855
2-methyl-1-(4-propylphenyl)propane-1,2-diol
CID 103449002
1-(4-butylphenyl)butan-1-ol
CID 61088483
5-hydroxy-5-[4-(1-hydroxy-4,4-dimethylpentyl)phenyl]-2,2-dimethylpentanal
CID 88581179
2-(methylamino)-1-(4-propylphenyl)ethanol
CID 64988870
3-methyl-1-(4-propylphenyl)pentan-1-ol
CID 114875906
3-(furan-2-yl)-1-(4-propylphenyl)propan-1-ol
CID 105095239
3-phenoxy-1-(4-propylphenyl)propan-1-ol
CID 62802067
N-(5,5-dimethylhexan-2-yl)-4-propylaniline
CID 114279897
(1R)-1-(4-ethylphenyl)butan-1-ol
CID 39237012

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(4-propylphenyl)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-1-(4-propylphenyl)pentan-1-ol (CID 114211492) is 4,4-dimethyl-1-(4-propylphenyl)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-(4-propylphenyl)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-(4-propylphenyl)pentan-1-ol is CCCc1ccc(C(O)CCC(C)(C)C)cc1.
What is the InChIKey of 4,4-dimethyl-1-(4-propylphenyl)pentan-1-ol?
The InChIKey is BRGHPDMDVQVPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-5-6-13-7-9-14(10-8-13)15(17)11-12-16(2,3)4/h7-10,15,17H,5-6,11-12H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(4-propylphenyl)pentan-1-ol?
4,4-dimethyl-1-(4-propylphenyl)pentan-1-ol has a molecular weight of 234.38 g/mol, XLogP of 4.50, 5 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)pentan-1-ol is sourced from PubChem (CID 114211492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).