(E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol

C13H18O — CID 10583846

IUPAC(E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol
SMILESC/C=C/[C@H](C)[C@](C)(O)c1ccccc1
InChIInChI=1S/C13H18O/c1-4-8-11(2)13(3,14)12-9-6-5-7-10-12/h4-11,14H,1-3H3/b8-4+/t11-,13-/m0/s1
InChIKeyGVYJKVPFHMAXNV-IRJIXIJJSA-N
MW190.29 g/mol
LogP3.11
Rot. Bonds3

About (E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol

(E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol (PubChem CID 10583846) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol.

Molecular Properties

Compound Name(E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol
PubChem CID10583846
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol
SMILESC/C=C/[C@H](C)[C@](C)(O)c1ccccc1
InChIInChI=1S/C13H18O/c1-4-8-11(2)13(3,14)12-9-6-5-7-10-12/h4-11,14H,1-3H3/b8-4+/t11-,13-/m0/s1
InChIKeyGVYJKVPFHMAXNV-IRJIXIJJSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,2R,3R)-2-phenylhex-4-ene-2,3-diol
CID 102188552
3-hydroxy-2-methyl-3-phenylbutanal
CID 140584728
3-methyl-2-phenylpentan-2-ol
CID 13024634
(2R,3R)-3-(methylamino)-2-phenylbutan-2-ol
CID 89263226
(3S,4Z,6E)-6-[(2E,4Z)-hexa-2,4-dien-2-yl]oxy-3-methyl-2-(4-phenoxyphenyl)octa-4,6-dien-2-ol
CID 89232513
2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 117068774
methyl (E,2R,3S)-2-anilino-3-methyl-2-phenylhex-4-enoate
CID 139043646
(E,2S,3R)-2,3,5-triphenylpent-4-en-2-ol
CID 10615189
(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
CID 14962367
(2S,3S)-2,3-diphenylpent-4-en-2-ol
CID 11651629
(4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one
CID 13299690
benzyl (E)-2,2,3-trimethylhex-4-enoate
CID 22173643

Frequently Asked Questions

What is the IUPAC name of (E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol?
The IUPAC name of (E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol (CID 10583846) is (E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol.
What is the SMILES notation for (E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol?
The canonical SMILES for (E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol is C/C=C/[C@H](C)[C@](C)(O)c1ccccc1.
What is the InChIKey of (E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol?
The InChIKey is GVYJKVPFHMAXNV-IRJIXIJJSA-N. The full InChI is InChI=1S/C13H18O/c1-4-8-11(2)13(3,14)12-9-6-5-7-10-12/h4-11,14H,1-3H3/b8-4+/t11-,13-/m0/s1.
What are the key properties of (E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol?
(E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol has a molecular weight of 190.29 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol is sourced from PubChem (CID 10583846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).