trans-(2R,3R)-3-(4-hydroxyphenyl)-2-phenylcyclobutane-1-carboxylic acid

C17H16O3 — CID 175139457

IUPACtrans-(2R,3R)-3-(4-hydroxyphenyl)-2-phenylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1C[C@@H](c2ccc(O)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H16O3/c18-13-8-6-11(7-9-13)14-10-15(17(19)20)16(14)12-4-2-1-3-5-12/h1-9,14-16,18H,10H2,(H,19,20)/t14-,15?,16+/m0/s1
InChIKeyRKFORADFAOSOAE-DLDKDUQYSA-N
MW268.31 g/mol
LogP3.36
Rot. Bonds3

About trans-(2R,3R)-3-(4-hydroxyphenyl)-2-phenylcyclobutane-1-carboxylic acid

trans-(2R,3R)-3-(4-hydroxyphenyl)-2-phenylcyclobutane-1-carboxylic acid (PubChem CID 175139457) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is trans-(2R,3R)-3-(4-hydroxyphenyl)-2-phenylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(2R,3R)-3-(4-hydroxyphenyl)-2-phenylcyclobutane-1-carboxylic acid
PubChem CID175139457
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Nametrans-(2R,3R)-3-(4-hydroxyphenyl)-2-phenylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1C[C@@H](c2ccc(O)cc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H16O3/c18-13-8-6-11(7-9-13)14-10-15(17(19)20)16(14)12-4-2-1-3-5-12/h1-9,14-16,18H,10H2,(H,19,20)/t14-,15?,16+/m0/s1
InChIKeyRKFORADFAOSOAE-DLDKDUQYSA-N
XLogP3.36
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-(4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 105437337
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
4-[(1S,2S)-3-benzoyl-2-(4-carboxyphenyl)cyclobutyl]benzoic acid
CID 155223310
(3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762183
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
(3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 56972006
N-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide
CID 110612039
cis-(1R,2S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135907421
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
2-(4-phosphanylphenyl)cyclopropane-1-carboxylic acid
CID 126735709
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903

Frequently Asked Questions

What is the IUPAC name of trans-(2R,3R)-3-(4-hydroxyphenyl)-2-phenylcyclobutane-1-carboxylic acid?
The IUPAC name of trans-(2R,3R)-3-(4-hydroxyphenyl)-2-phenylcyclobutane-1-carboxylic acid (CID 175139457) is trans-(2R,3R)-3-(4-hydroxyphenyl)-2-phenylcyclobutane-1-carboxylic acid.
What is the SMILES notation for trans-(2R,3R)-3-(4-hydroxyphenyl)-2-phenylcyclobutane-1-carboxylic acid?
The canonical SMILES for trans-(2R,3R)-3-(4-hydroxyphenyl)-2-phenylcyclobutane-1-carboxylic acid is O=C(O)C1C[C@@H](c2ccc(O)cc2)[C@H]1c1ccccc1.
What is the InChIKey of trans-(2R,3R)-3-(4-hydroxyphenyl)-2-phenylcyclobutane-1-carboxylic acid?
The InChIKey is RKFORADFAOSOAE-DLDKDUQYSA-N. The full InChI is InChI=1S/C17H16O3/c18-13-8-6-11(7-9-13)14-10-15(17(19)20)16(14)12-4-2-1-3-5-12/h1-9,14-16,18H,10H2,(H,19,20)/t14-,15?,16+/m0/s1.
What are the key properties of trans-(2R,3R)-3-(4-hydroxyphenyl)-2-phenylcyclobutane-1-carboxylic acid?
trans-(2R,3R)-3-(4-hydroxyphenyl)-2-phenylcyclobutane-1-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,3R)-3-(4-hydroxyphenyl)-2-phenylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 175139457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).