(E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one

C18H18O2 — CID 15271770

IUPAC(E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one
SMILESC[C@@H](C(=O)c1ccccc1)[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C18H18O2/c1-14(18(20)16-10-6-3-7-11-16)17(19)13-12-15-8-4-2-5-9-15/h2-14,17,19H,1H3/b13-12+/t14-,17-/m1/s1
InChIKeyMXXGSPHUBXKFMA-BRMMKFBUSA-N
MW266.34 g/mol
LogP3.58
Rot. Bonds5

About (E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one

(E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one (PubChem CID 15271770) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one.

Molecular Properties

Compound Name(E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one
PubChem CID15271770
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one
SMILESC[C@@H](C(=O)c1ccccc1)[C@H](O)/C=C/c1ccccc1
InChIInChI=1S/C18H18O2/c1-14(18(20)16-10-6-3-7-11-16)17(19)13-12-15-8-4-2-5-9-15/h2-14,17,19H,1H3/b13-12+/t14-,17-/m1/s1
InChIKeyMXXGSPHUBXKFMA-BRMMKFBUSA-N
XLogP3.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E,4R,5S)-5-hydroxy-4-methyl-7-phenylhept-6-en-3-one
CID 12031058
benzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate
CID 134904469
methyl (E,4R,5S)-5-hydroxy-4-methyl-3-oxo-7-phenylhept-6-enoate
CID 101199751
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
(E)-2-methyl-5-phenylpent-4-ene-1,3-diol
CID 89050087
(E,2R,5S,6S)-6-hydroxy-5-methyl-8-phenyl-2-tri(propan-2-yl)silyloxyoct-7-en-4-one
CID 101204238
(E,2S,5R)-6-hydroxy-5-methyl-8-phenyl-2-tri(propan-2-yl)silyloxyoct-7-en-4-one
CID 134931180
[(Z)-4-phenylbut-3-en-2-yl] benzoate
CID 10444919
(1E,3R,4R)-4-methyl-1-phenyl-5-phenylsulfanylhexa-1,5-dien-3-ol
CID 101265605
(E)-3-amino-2-methyl-5-phenylpent-4-enoic acid
CID 18957413
(Z)-2-methyl-4-phenylbut-3-enethioic S-acid
CID 118703780
3-hydroxy-2,4,4-trimethyl-1-phenylpentan-1-one
CID 13023589

Frequently Asked Questions

What is the IUPAC name of (E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one?
The IUPAC name of (E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one (CID 15271770) is (E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one.
What is the SMILES notation for (E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one?
The canonical SMILES for (E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one is C[C@@H](C(=O)c1ccccc1)[C@H](O)/C=C/c1ccccc1.
What is the InChIKey of (E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one?
The InChIKey is MXXGSPHUBXKFMA-BRMMKFBUSA-N. The full InChI is InChI=1S/C18H18O2/c1-14(18(20)16-10-6-3-7-11-16)17(19)13-12-15-8-4-2-5-9-15/h2-14,17,19H,1H3/b13-12+/t14-,17-/m1/s1.
What are the key properties of (E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one?
(E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one has a molecular weight of 266.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R)-3-hydroxy-2-methyl-1,5-diphenylpent-4-en-1-one is sourced from PubChem (CID 15271770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).