2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol

C13H20O — CID 22486943

IUPAC2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1cccc(C(O)C(C)C)c1
InChIInChI=1S/C13H20O/c1-9(2)11-6-5-7-12(8-11)13(14)10(3)4/h5-10,13-14H,1-4H3
InChIKeyRXEDKFCKJMJGHM-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.50
Rot. Bonds3

About 2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol

2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol (PubChem CID 22486943) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol
PubChem CID22486943
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol
SMILESCC(C)c1cccc(C(O)C(C)C)c1
InChIInChI=1S/C13H20O/c1-9(2)11-6-5-7-12(8-11)13(14)10(3)4/h5-10,13-14H,1-4H3
InChIKeyRXEDKFCKJMJGHM-UHFFFAOYSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
1-(3-propan-2-ylphenyl)ethane-1,2-diol
CID 155397805
(2S)-2-hydroxy-2-(3-propan-2-ylphenyl)acetonitrile
CID 98086839
ethyl 2,3-dihydroxy-3-(3-propan-2-ylphenyl)propanoate
CID 171865944
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
1,3-di(propan-2-yl)benzene;sulfuryl dichloride
CID 174899363
2-phenyl-1-(3-propan-2-ylphenyl)ethanol
CID 59798288
2-methyl-N-[1-(3-propan-2-ylphenyl)ethyl]propanamide
CID 177202302
S-[3,4-dihydroxy-4-(3-propan-2-ylphenyl)butyl] ethanethioate
CID 171875723
1-(3-propan-2-ylphenyl)propan-2-ol
CID 21243708

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol (CID 22486943) is 2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol is CC(C)c1cccc(C(O)C(C)C)c1.
What is the InChIKey of 2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol?
The InChIKey is RXEDKFCKJMJGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-9(2)11-6-5-7-12(8-11)13(14)10(3)4/h5-10,13-14H,1-4H3.
What are the key properties of 2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol?
2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol has a molecular weight of 192.30 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 22486943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).