2-(7-methylbenzo[7]annulen-7-yl)acetic acid

C14H14O2 — CID 147570229

IUPAC2-(7-methylbenzo[7]annulen-7-yl)acetic acid
SMILESCC1(CC(=O)O)C=Cc2ccccc2C=C1
InChIInChI=1S/C14H14O2/c1-14(10-13(15)16)8-6-11-4-2-3-5-12(11)7-9-14/h2-9H,10H2,1H3,(H,15,16)
InChIKeyFUJHPRIZUQGLDE-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.21
Rot. Bonds2

About 2-(7-methylbenzo[7]annulen-7-yl)acetic acid

2-(7-methylbenzo[7]annulen-7-yl)acetic acid (PubChem CID 147570229) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(7-methylbenzo[7]annulen-7-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methylbenzo[7]annulen-7-yl)acetic acid
PubChem CID147570229
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2-(7-methylbenzo[7]annulen-7-yl)acetic acid
SMILESCC1(CC(=O)O)C=Cc2ccccc2C=C1
InChIInChI=1S/C14H14O2/c1-14(10-13(15)16)8-6-11-4-2-3-5-12(11)7-9-14/h2-9H,10H2,1H3,(H,15,16)
InChIKeyFUJHPRIZUQGLDE-UHFFFAOYSA-N
XLogP3.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-methoxyinden-1-yl)acetic acid
CID 13445754
2-(2-amino-1H-naphthalen-2-yl)acetic acid
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2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
2-ethyl-1H-naphthalene-2-carboxylic acid
CID 152740834
2-[2-(carboxymethyl)-1-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,17,19,21,23,25,27-dodecaenyl]acetic acid
CID 10576392
2,2-dimethylquinoline-1-carboxamide
CID 140982982
2-(1-methyl-4-phenylcyclohexyl)acetic acid
CID 169408960
methanol;propanoic acid;toluene
CID 70424209
2-(1,1,3,3-tetramethyl-2-nitrososulfanylinden-2-yl)acetic acid
CID 10236435
7-decan-2-yl-7-methylbenzo[7]annulene
CID 142436722
(1S,2R)-1-acetamido-2-methyl-1H-naphthalene-2-carboxylic acid
CID 10490573

Frequently Asked Questions

What is the IUPAC name of 2-(7-methylbenzo[7]annulen-7-yl)acetic acid?
The IUPAC name of 2-(7-methylbenzo[7]annulen-7-yl)acetic acid (CID 147570229) is 2-(7-methylbenzo[7]annulen-7-yl)acetic acid.
What is the SMILES notation for 2-(7-methylbenzo[7]annulen-7-yl)acetic acid?
The canonical SMILES for 2-(7-methylbenzo[7]annulen-7-yl)acetic acid is CC1(CC(=O)O)C=Cc2ccccc2C=C1.
What is the InChIKey of 2-(7-methylbenzo[7]annulen-7-yl)acetic acid?
The InChIKey is FUJHPRIZUQGLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-14(10-13(15)16)8-6-11-4-2-3-5-12(11)7-9-14/h2-9H,10H2,1H3,(H,15,16).
What are the key properties of 2-(7-methylbenzo[7]annulen-7-yl)acetic acid?
2-(7-methylbenzo[7]annulen-7-yl)acetic acid has a molecular weight of 214.26 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methylbenzo[7]annulen-7-yl)acetic acid is sourced from PubChem (CID 147570229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).