1-(3-propan-2-ylphenyl)ethane-1,2-diol

C11H16O2 — CID 155397805

IUPAC1-(3-propan-2-ylphenyl)ethane-1,2-diol
SMILESCC(C)c1cccc(C(O)CO)c1
InChIInChI=1S/C11H16O2/c1-8(2)9-4-3-5-10(6-9)11(13)7-12/h3-6,8,11-13H,7H2,1-2H3
InChIKeyWYWMKZIVNACQKH-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.84
Rot. Bonds3

About 1-(3-propan-2-ylphenyl)ethane-1,2-diol

1-(3-propan-2-ylphenyl)ethane-1,2-diol (PubChem CID 155397805) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(3-propan-2-ylphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(3-propan-2-ylphenyl)ethane-1,2-diol
PubChem CID155397805
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(3-propan-2-ylphenyl)ethane-1,2-diol
SMILESCC(C)c1cccc(C(O)CO)c1
InChIInChI=1S/C11H16O2/c1-8(2)9-4-3-5-10(6-9)11(13)7-12/h3-6,8,11-13H,7H2,1-2H3
InChIKeyWYWMKZIVNACQKH-UHFFFAOYSA-N
XLogP1.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 59798288
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CID 163257767
2-methyl-1-(3-propan-2-ylphenyl)propan-1-ol
CID 22486943
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol
CID 159196107
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-(3-propan-2-ylphenyl)octan-1-ol
CID 156765512
1-[3-(2-amino-2-methylpropyl)phenyl]ethane-1,2-diol
CID 117299109
(3S)-3-amino-3-(3-propan-2-ylphenyl)propan-1-ol;hydrochloride
CID 171231623
2-(3-propan-2-ylphenoxy)propan-1-ol
CID 82075961
(2S)-2-hydroxy-2-(3-propan-2-ylphenyl)acetonitrile
CID 98086839
1-(3-propan-2-ylphenyl)propan-2-ol
CID 21243708
1-[3-[(methoxyamino)methyl]phenyl]ethane-1,2-diol
CID 117287069

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylphenyl)ethane-1,2-diol?
The IUPAC name of 1-(3-propan-2-ylphenyl)ethane-1,2-diol (CID 155397805) is 1-(3-propan-2-ylphenyl)ethane-1,2-diol.
What is the SMILES notation for 1-(3-propan-2-ylphenyl)ethane-1,2-diol?
The canonical SMILES for 1-(3-propan-2-ylphenyl)ethane-1,2-diol is CC(C)c1cccc(C(O)CO)c1.
What is the InChIKey of 1-(3-propan-2-ylphenyl)ethane-1,2-diol?
The InChIKey is WYWMKZIVNACQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8(2)9-4-3-5-10(6-9)11(13)7-12/h3-6,8,11-13H,7H2,1-2H3.
What are the key properties of 1-(3-propan-2-ylphenyl)ethane-1,2-diol?
1-(3-propan-2-ylphenyl)ethane-1,2-diol has a molecular weight of 180.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylphenyl)ethane-1,2-diol is sourced from PubChem (CID 155397805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).