(1S)-1-[4-(hydroxymethyl)phenyl]ethanol

C9H12O2 — CID 130747007

IUPAC(1S)-1-[4-(hydroxymethyl)phenyl]ethanol
SMILESC[C@H](O)c1ccc(CO)cc1
InChIInChI=1S/C9H12O2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,10-11H,6H2,1H3/t7-/m0/s1
InChIKeyOZHROFCXIMHHRO-ZETCQYMHSA-N
MW152.19 g/mol
LogP1.23
Rot. Bonds2

About (1S)-1-[4-(hydroxymethyl)phenyl]ethanol

(1S)-1-[4-(hydroxymethyl)phenyl]ethanol (PubChem CID 130747007) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (1S)-1-[4-(hydroxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(hydroxymethyl)phenyl]ethanol
PubChem CID130747007
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(1S)-1-[4-(hydroxymethyl)phenyl]ethanol
SMILESC[C@H](O)c1ccc(CO)cc1
InChIInChI=1S/C9H12O2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,10-11H,6H2,1H3/t7-/m0/s1
InChIKeyOZHROFCXIMHHRO-ZETCQYMHSA-N
XLogP1.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(hydroxymethyl)phenyl]methanediol
CID 54533756
1-[4-(chloromethyl)phenyl]ethanol
CID 12600511
(2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol
CID 10374791
1-[4-(bromomethyl)phenyl]ethanol
CID 90882765
1-[4-(1-hydroxyethyl)phenyl]ethane-1,2-diol
CID 117279181
1-[4-(hydroxymethyl)phenyl]-2,2-dimethylpropan-1-ol
CID 21425202
1-[4-(4-ethylphenyl)phenyl]ethanol
CID 139710223
[4-(1-fluoro-3-methylbutan-2-yl)phenyl]methanol
CID 115020728
2-[4-(1-hydroxyethyl)phenyl]acetic acid
CID 71406306
(1R)-1-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 63374564
[4-(4-aminobutan-2-yl)phenyl]methanol
CID 84767971
[4-(2,5-dimethylhexan-3-yl)phenyl]methanol
CID 58807001

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(hydroxymethyl)phenyl]ethanol?
The IUPAC name of (1S)-1-[4-(hydroxymethyl)phenyl]ethanol (CID 130747007) is (1S)-1-[4-(hydroxymethyl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(hydroxymethyl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(hydroxymethyl)phenyl]ethanol is C[C@H](O)c1ccc(CO)cc1.
What is the InChIKey of (1S)-1-[4-(hydroxymethyl)phenyl]ethanol?
The InChIKey is OZHROFCXIMHHRO-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12O2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,10-11H,6H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-[4-(hydroxymethyl)phenyl]ethanol?
(1S)-1-[4-(hydroxymethyl)phenyl]ethanol has a molecular weight of 152.19 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(hydroxymethyl)phenyl]ethanol is sourced from PubChem (CID 130747007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).