4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol

C14H22O — CID 62608573

IUPAC4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol
SMILESCc1ccccc1C(O)CCC(C)(C)C
InChIInChI=1S/C14H22O/c1-11-7-5-6-8-12(11)13(15)9-10-14(2,3)4/h5-8,13,15H,9-10H2,1-4H3
InChIKeyGHGQSYNCFPSSRA-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.85
Rot. Bonds3

About 4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol

4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol (PubChem CID 62608573) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol
PubChem CID62608573
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol
SMILESCc1ccccc1C(O)CCC(C)(C)C
InChIInChI=1S/C14H22O/c1-11-7-5-6-8-12(11)13(15)9-10-14(2,3)4/h5-8,13,15H,9-10H2,1-4H3
InChIKeyGHGQSYNCFPSSRA-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-aminophenyl)-4,4-dimethylpentan-1-ol
CID 64831796
1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol
CID 65148482
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
(1S,3S)-3-amino-4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol
CID 171237034
(1R,3R)-3-amino-4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol
CID 171237646
4,4-dimethyl-1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235538
3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62625075
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
1,2-bis(2-methylphenyl)ethanol
CID 60798292
4,4-dimethyl-1-(3-methylfuran-2-yl)pentan-1-ol
CID 104800841
(1R)-3-(benzylamino)-1-(2-methylphenyl)propan-1-ol
CID 134955174
3,3-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 81375562

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol (CID 62608573) is 4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol is Cc1ccccc1C(O)CCC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol?
The InChIKey is GHGQSYNCFPSSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-11-7-5-6-8-12(11)13(15)9-10-14(2,3)4/h5-8,13,15H,9-10H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol?
4,4-dimethyl-1-(2-methylphenyl)pentan-1-ol has a molecular weight of 206.33 g/mol, XLogP of 3.85, 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-(2-methylphenyl)pentan-1-ol is sourced from PubChem (CID 62608573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).