(2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol

C10H14O2 — CID 10374791

IUPAC(2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol
SMILESC[C@H](CO)c1ccc(CO)cc1
InChIInChI=1S/C10H14O2/c1-8(6-11)10-4-2-9(7-12)3-5-10/h2-5,8,11-12H,6-7H2,1H3/t8-/m1/s1
InChIKeyRPLWCXFKFITSJU-MRVPVSSYSA-N
MW166.22 g/mol
LogP1.27
Rot. Bonds3

About (2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol

(2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol (PubChem CID 10374791) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol
PubChem CID10374791
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol
SMILESC[C@H](CO)c1ccc(CO)cc1
InChIInChI=1S/C10H14O2/c1-8(6-11)10-4-2-9(7-12)3-5-10/h2-5,8,11-12H,6-7H2,1H3/t8-/m1/s1
InChIKeyRPLWCXFKFITSJU-MRVPVSSYSA-N
XLogP1.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-aminobutan-2-yl)phenyl]methanol
CID 84767971
(1S)-1-[4-(hydroxymethyl)phenyl]ethanol
CID 130747007
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
2-(4-iodophenyl)propan-1-ol
CID 118041609
4-[4-(hydroxymethyl)phenyl]pentanoic acid
CID 172883512
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
[4-(hydroxymethyl)phenyl]methanediol
CID 54533756
2-[4-[(1-methoxycyclopropyl)methyl]phenyl]propan-1-ol
CID 117113530
4-(1-hydroxypropan-2-yl)benzaldehyde
CID 130131368
[4-(1-fluoro-3-methylbutan-2-yl)phenyl]methanol
CID 115020728
(6S)-6-[4-(hydroxymethyl)phenyl]-2-methylhept-2-en-4-one
CID 177484768

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol?
The IUPAC name of (2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol (CID 10374791) is (2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol.
What is the SMILES notation for (2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol?
The canonical SMILES for (2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol is C[C@H](CO)c1ccc(CO)cc1.
What is the InChIKey of (2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol?
The InChIKey is RPLWCXFKFITSJU-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8(6-11)10-4-2-9(7-12)3-5-10/h2-5,8,11-12H,6-7H2,1H3/t8-/m1/s1.
What are the key properties of (2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol?
(2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol is sourced from PubChem (CID 10374791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).