3-phenylbutan-2-ol

C10H14O — CID 562145

IUPAC3-phenylbutan-2-ol
SMILESCC(O)C(C)c1ccccc1
InChIInChI=1S/C10H14O/c1-8(9(2)11)10-6-4-3-5-7-10/h3-9,11H,1-2H3
InChIKeyKDNYCTPSPZHJQF-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.17
Rot. Bonds2

About 3-phenylbutan-2-ol

3-phenylbutan-2-ol (PubChem CID 562145) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-phenylbutan-2-ol.

Molecular Properties

Compound Name3-phenylbutan-2-ol
PubChem CID562145
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name3-phenylbutan-2-ol
SMILESCC(O)C(C)c1ccccc1
InChIInChI=1S/C10H14O/c1-8(9(2)11)10-6-4-3-5-7-10/h3-9,11H,1-2H3
InChIKeyKDNYCTPSPZHJQF-UHFFFAOYSA-N
XLogP2.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenylbutan-2-ol?
The IUPAC name of 3-phenylbutan-2-ol (CID 562145) is 3-phenylbutan-2-ol.
What is the SMILES notation for 3-phenylbutan-2-ol?
The canonical SMILES for 3-phenylbutan-2-ol is CC(O)C(C)c1ccccc1.
What is the InChIKey of 3-phenylbutan-2-ol?
The InChIKey is KDNYCTPSPZHJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-8(9(2)11)10-6-4-3-5-7-10/h3-9,11H,1-2H3.
What are the key properties of 3-phenylbutan-2-ol?
3-phenylbutan-2-ol has a molecular weight of 150.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbutan-2-ol is sourced from PubChem (CID 562145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).