(7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid

C16H14O2 — CID 125469336

IUPAC(7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid
SMILESO=C(O)[C@]1(Cc2ccccc2)Cc2ccccc21
InChIInChI=1S/C16H14O2/c17-15(18)16(10-12-6-2-1-3-7-12)11-13-8-4-5-9-14(13)16/h1-9H,10-11H2,(H,17,18)/t16-/m1/s1
InChIKeyCKTGCBKGJZUYCV-MRXNPFEDSA-N
MW238.29 g/mol
LogP2.81
Rot. Bonds3

About (7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid

(7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid (PubChem CID 125469336) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid.

Molecular Properties

Compound Name(7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid
PubChem CID125469336
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid
SMILESO=C(O)[C@]1(Cc2ccccc2)Cc2ccccc21
InChIInChI=1S/C16H14O2/c17-15(18)16(10-12-6-2-1-3-7-12)11-13-8-4-5-9-14(13)16/h1-9H,10-11H2,(H,17,18)/t16-/m1/s1
InChIKeyCKTGCBKGJZUYCV-MRXNPFEDSA-N
XLogP2.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-chlorophenyl)methyl]-2,3-dihydroindene-1-carboxylic acid
CID 65409313
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CID 63402869
1-benzyl-1-methyl-3,4-dihydronaphthalen-2-one
CID 10243846
1-[(6-chloro-3-pyridinyl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83067632
1-benzylcyclopropane-1-carboxylic acid
CID 562561
1-(3-hydroxypropyl)-2,3-dihydroindene-1-carboxylic acid
CID 79429175
1-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindene-1-carboxylic acid
CID 79429267
1-but-2-enyl-2,3-dihydroindene-1-carboxylic acid
CID 79428785
1-(3-hydroxy-3-methylbutyl)-2,3-dihydroindene-1-carboxylic acid
CID 79428309
2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
CID 65406805
(2S)-2-benzyl-4-oxoazetidine-2-carboxylic acid
CID 10536224
1-[(1-ethylpyrazol-4-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 62740609

Frequently Asked Questions

What is the IUPAC name of (7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid?
The IUPAC name of (7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid (CID 125469336) is (7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid.
What is the SMILES notation for (7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid?
The canonical SMILES for (7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid is O=C(O)[C@]1(Cc2ccccc2)Cc2ccccc21.
What is the InChIKey of (7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid?
The InChIKey is CKTGCBKGJZUYCV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14O2/c17-15(18)16(10-12-6-2-1-3-7-12)11-13-8-4-5-9-14(13)16/h1-9H,10-11H2,(H,17,18)/t16-/m1/s1.
What are the key properties of (7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid?
(7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid is sourced from PubChem (CID 125469336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).