(1S)-1-(3-propan-2-yloxyphenyl)ethanol

C11H16O2 — CID 75358098

IUPAC(1S)-1-(3-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1cccc([C@H](C)O)c1
InChIInChI=1S/C11H16O2/c1-8(2)13-11-6-4-5-10(7-11)9(3)12/h4-9,12H,1-3H3/t9-/m0/s1
InChIKeyLBNKLYCKUMWXNX-VIFPVBQESA-N
MW180.25 g/mol
LogP2.53
Rot. Bonds3

About (1S)-1-(3-propan-2-yloxyphenyl)ethanol

(1S)-1-(3-propan-2-yloxyphenyl)ethanol (PubChem CID 75358098) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (1S)-1-(3-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(3-propan-2-yloxyphenyl)ethanol
PubChem CID75358098
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(1S)-1-(3-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1cccc([C@H](C)O)c1
InChIInChI=1S/C11H16O2/c1-8(2)13-11-6-4-5-10(7-11)9(3)12/h4-9,12H,1-3H3/t9-/m0/s1
InChIKeyLBNKLYCKUMWXNX-VIFPVBQESA-N
XLogP2.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(3-propan-2-yloxyphenyl)butane-1,2-diol
CID 103456619
[3-(1-hydroxyethyl)phenyl] acetate
CID 11030413
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol
CID 115347510
2-(3-propan-2-yloxyphenyl)propanoic acid
CID 67024169
(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895368
(1S)-1-(3-pentan-2-yloxyphenyl)ethanol
CID 107892276
1-(3-phenoxyphenyl)ethanol
CID 12882419
(4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 106695525
N-carbamoyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 63365371
2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-ol
CID 115824076
cyclooctyl-(3-propan-2-yloxyphenyl)methanol
CID 80604146

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-propan-2-yloxyphenyl)ethanol?
The IUPAC name of (1S)-1-(3-propan-2-yloxyphenyl)ethanol (CID 75358098) is (1S)-1-(3-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for (1S)-1-(3-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for (1S)-1-(3-propan-2-yloxyphenyl)ethanol is CC(C)Oc1cccc([C@H](C)O)c1.
What is the InChIKey of (1S)-1-(3-propan-2-yloxyphenyl)ethanol?
The InChIKey is LBNKLYCKUMWXNX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16O2/c1-8(2)13-11-6-4-5-10(7-11)9(3)12/h4-9,12H,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-(3-propan-2-yloxyphenyl)ethanol?
(1S)-1-(3-propan-2-yloxyphenyl)ethanol has a molecular weight of 180.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 75358098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).