(1R)-1,3-diphenylbut-3-en-1-ol

C16H16O — CID 101158023

IUPAC(1R)-1,3-diphenylbut-3-en-1-ol
SMILESC=C(C[C@@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h2-11,16-17H,1,12H2/t16-/m1/s1
InChIKeyDETJDPAPNVYRIE-MRXNPFEDSA-N
MW224.30 g/mol
LogP3.82
Rot. Bonds4

About (1R)-1,3-diphenylbut-3-en-1-ol

(1R)-1,3-diphenylbut-3-en-1-ol (PubChem CID 101158023) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is (1R)-1,3-diphenylbut-3-en-1-ol.

Molecular Properties

Compound Name(1R)-1,3-diphenylbut-3-en-1-ol
PubChem CID101158023
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name(1R)-1,3-diphenylbut-3-en-1-ol
SMILESC=C(C[C@@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h2-11,16-17H,1,12H2/t16-/m1/s1
InChIKeyDETJDPAPNVYRIE-MRXNPFEDSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-naphthalen-2-yl-3-phenylbut-3-en-1-ol
CID 102449400
(1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol
CID 134966288
3-phenyl-1-[4-(2-phenylmethoxyethoxy)phenyl]but-3-en-1-ol
CID 150411288
2-hydroxy-4-phenylpent-4-enal
CID 134964349
1-[3-(4-hydroxy-4-phenylbut-1-en-2-yl)-5-phenylphenyl]prop-2-en-1-one
CID 143800605
1-amino-3-phenylbut-3-ene-1-thiol
CID 155217883
3-hydroxy-5-phenylhex-5-en-2-one
CID 129060443
(1R)-1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol
CID 11183924
3-(1,2-benzoxazol-3-yl)-1-phenylbut-3-en-1-ol
CID 67605423
3-methyl-1,5-diphenylhexa-3,4-dien-1-ol
CID 102434013
(2R)-2-methyl-4-phenylpent-4-en-1-ol
CID 10535285
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260

Frequently Asked Questions

What is the IUPAC name of (1R)-1,3-diphenylbut-3-en-1-ol?
The IUPAC name of (1R)-1,3-diphenylbut-3-en-1-ol (CID 101158023) is (1R)-1,3-diphenylbut-3-en-1-ol.
What is the SMILES notation for (1R)-1,3-diphenylbut-3-en-1-ol?
The canonical SMILES for (1R)-1,3-diphenylbut-3-en-1-ol is C=C(C[C@@H](O)c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-1,3-diphenylbut-3-en-1-ol?
The InChIKey is DETJDPAPNVYRIE-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h2-11,16-17H,1,12H2/t16-/m1/s1.
What are the key properties of (1R)-1,3-diphenylbut-3-en-1-ol?
(1R)-1,3-diphenylbut-3-en-1-ol has a molecular weight of 224.30 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,3-diphenylbut-3-en-1-ol is sourced from PubChem (CID 101158023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).