(2R)-2-methyl-4-phenylpent-4-en-1-ol

C12H16O — CID 10535285

IUPAC(2R)-2-methyl-4-phenylpent-4-en-1-ol
SMILESC=C(C[C@@H](C)CO)c1ccccc1
InChIInChI=1S/C12H16O/c1-10(9-13)8-11(2)12-6-4-3-5-7-12/h3-7,10,13H,2,8-9H2,1H3/t10-/m1/s1
InChIKeyIHEWSDMXTMCJKO-SNVBAGLBSA-N
MW176.26 g/mol
LogP2.72
Rot. Bonds4

About (2R)-2-methyl-4-phenylpent-4-en-1-ol

(2R)-2-methyl-4-phenylpent-4-en-1-ol (PubChem CID 10535285) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (2R)-2-methyl-4-phenylpent-4-en-1-ol.

Molecular Properties

Compound Name(2R)-2-methyl-4-phenylpent-4-en-1-ol
PubChem CID10535285
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(2R)-2-methyl-4-phenylpent-4-en-1-ol
SMILESC=C(C[C@@H](C)CO)c1ccccc1
InChIInChI=1S/C12H16O/c1-10(9-13)8-11(2)12-6-4-3-5-7-12/h3-7,10,13H,2,8-9H2,1H3/t10-/m1/s1
InChIKeyIHEWSDMXTMCJKO-SNVBAGLBSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1,3-diphenylbut-3-en-1-ol
CID 101158023
1-amino-3-phenylbut-3-ene-1-thiol
CID 155217883
5-methylhept-1-en-2-ylbenzene
CID 90870775
3-hydroxy-5-phenylhex-5-en-2-one
CID 129060443
N-benzyl-2-methyl-5-phenylhex-5-en-3-amine
CID 102298345
propan-2-yl (2R)-2-hydroxy-4-phenylpent-4-enoate
CID 102028913
trimethyl(2-phenylprop-2-enyl)azanium
CID 10901234
5-phenyl-3-sulfanylhex-5-en-2-one
CID 129060444
1,1,1-trifluoro-N,N-dimethyl-4-phenylpent-4-en-2-amine
CID 10728924
2-hydroxy-4-phenylpent-4-enal
CID 134964349
ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate
CID 11020407
pent-1-en-2-ylbenzene
CID 521761

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-phenylpent-4-en-1-ol?
The IUPAC name of (2R)-2-methyl-4-phenylpent-4-en-1-ol (CID 10535285) is (2R)-2-methyl-4-phenylpent-4-en-1-ol.
What is the SMILES notation for (2R)-2-methyl-4-phenylpent-4-en-1-ol?
The canonical SMILES for (2R)-2-methyl-4-phenylpent-4-en-1-ol is C=C(C[C@@H](C)CO)c1ccccc1.
What is the InChIKey of (2R)-2-methyl-4-phenylpent-4-en-1-ol?
The InChIKey is IHEWSDMXTMCJKO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16O/c1-10(9-13)8-11(2)12-6-4-3-5-7-12/h3-7,10,13H,2,8-9H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-methyl-4-phenylpent-4-en-1-ol?
(2R)-2-methyl-4-phenylpent-4-en-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-phenylpent-4-en-1-ol is sourced from PubChem (CID 10535285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).