2-(4-chloro-5-methyl-9H-fluoren-9-yl)acetic acid

C16H13ClO2 — CID 82578915

IUPAC2-(4-chloro-5-methyl-9H-fluoren-9-yl)acetic acid
SMILESCc1cccc2c1-c1c(Cl)cccc1C2CC(=O)O
InChIInChI=1S/C16H13ClO2/c1-9-4-2-5-10-12(8-14(18)19)11-6-3-7-13(17)16(11)15(9)10/h2-7,12H,8H2,1H3,(H,18,19)
InChIKeyAVDAARUDYPCOTQ-UHFFFAOYSA-N
MW272.73 g/mol
LogP4.24
Rot. Bonds2

About 2-(4-chloro-5-methyl-9H-fluoren-9-yl)acetic acid

2-(4-chloro-5-methyl-9H-fluoren-9-yl)acetic acid (PubChem CID 82578915) has the molecular formula C16H13ClO2 and a molecular weight of 272.73 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-9H-fluoren-9-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-9H-fluoren-9-yl)acetic acid
PubChem CID82578915
Molecular FormulaC16H13ClO2
Molecular Weight272.73 g/mol
Exact Mass272.06
IUPAC Name2-(4-chloro-5-methyl-9H-fluoren-9-yl)acetic acid
SMILESCc1cccc2c1-c1c(Cl)cccc1C2CC(=O)O
InChIInChI=1S/C16H13ClO2/c1-9-4-2-5-10-12(8-14(18)19)11-6-3-7-13(17)16(11)15(9)10/h2-7,12H,8H2,1H3,(H,18,19)
InChIKeyAVDAARUDYPCOTQ-UHFFFAOYSA-N
XLogP4.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid
CID 82578908
2-(1,3-dichloro-5,6-dimethyl-9H-fluoren-9-yl)acetic acid
CID 82579039
3-(4-methyl-9H-fluoren-9-yl)propanoic acid
CID 15045078
9-(carboxymethyl)-5,6-dimethyl-9H-fluorene-2-carboxylic acid
CID 82579038
2-(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
CID 83912755
3-(2-chloro-6-methylphenyl)propanoic acid
CID 84733648
2-(9H-xanthen-9-yl)acetic acid
CID 834662
2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid
CID 123817311
2-(2-methyl-1H-inden-1-yl)acetic acid
CID 150876820
2-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl)acetic acid
CID 84623269
2-(4-chloro-3-oxo-1,2-dihydroinden-2-yl)acetic acid
CID 151555538
5-(carboxymethyl)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid
CID 66809656

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-9H-fluoren-9-yl)acetic acid?
The IUPAC name of 2-(4-chloro-5-methyl-9H-fluoren-9-yl)acetic acid (CID 82578915) is 2-(4-chloro-5-methyl-9H-fluoren-9-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-5-methyl-9H-fluoren-9-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-5-methyl-9H-fluoren-9-yl)acetic acid is Cc1cccc2c1-c1c(Cl)cccc1C2CC(=O)O.
What is the InChIKey of 2-(4-chloro-5-methyl-9H-fluoren-9-yl)acetic acid?
The InChIKey is AVDAARUDYPCOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO2/c1-9-4-2-5-10-12(8-14(18)19)11-6-3-7-13(17)16(11)15(9)10/h2-7,12H,8H2,1H3,(H,18,19).
What are the key properties of 2-(4-chloro-5-methyl-9H-fluoren-9-yl)acetic acid?
2-(4-chloro-5-methyl-9H-fluoren-9-yl)acetic acid has a molecular weight of 272.73 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-9H-fluoren-9-yl)acetic acid is sourced from PubChem (CID 82578915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).