CID 147460605

C23H20ClFO2 — CID 147460605

IUPAC—
SMILESC=C(c1ccc(C(=O)O)cc1)c1c(Cl)cc2c(c1F)C1(CCC23CC3)CC1
InChIInChI=1S/C23H20ClFO2/c1-13(14-2-4-15(5-3-14)21(26)27)18-17(24)12-16-19(20(18)25)23(10-11-23)9-8-22(16)6-7-22/h2-5,12H,1,6-11H2,(H,26,27)
InChIKeyDZWBJQYBIBOYHW-UHFFFAOYSA-N
MW382.86 g/mol
LogP6.10
Rot. Bonds3

About CID 147460605

CID 147460605 (PubChem CID 147460605) has the molecular formula C23H20ClFO2 and a molecular weight of 382.86 g/mol.

Molecular Properties

Compound NameCID 147460605
PubChem CID147460605
Molecular FormulaC23H20ClFO2
Molecular Weight382.86 g/mol
Exact Mass382.11
IUPAC Name—
SMILESC=C(c1ccc(C(=O)O)cc1)c1c(Cl)cc2c(c1F)C1(CCC23CC3)CC1
InChIInChI=1S/C23H20ClFO2/c1-13(14-2-4-15(5-3-14)21(26)27)18-17(24)12-16-19(20(18)25)23(10-11-23)9-8-22(16)6-7-22/h2-5,12H,1,6-11H2,(H,26,27)
InChIKeyDZWBJQYBIBOYHW-UHFFFAOYSA-N
XLogP6.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.86
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-[1-fluoro-3-(1-fluoroethyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acid
CID 153339441
lithium;4-[1-(1-fluoro-3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;methyl 4-[1-(1-fluoro-3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;hydroxide
CID 163809023
CID 153339440
CID 153339440
methyl 4-[1-(3-chloro-5,5-dimethylspiro[6,7-dihydronaphthalene-8,1'-cyclopropane]-2-yl)ethenyl]benzoate
CID 152899040
4-(3-ethoxy-1-fluoro-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid
CID 143004648
4-[1-(3,4-ditert-butyl-2-fluoro-6-methylphenyl)ethenyl]benzoic acid
CID 153339431
5-fluoro-1,1,4,4,7-pentamethyl-6-(1-phenylethenyl)-2,3-dihydronaphthalene
CID 162484414
3-chloro-4-(4,4-difluorocyclohexyl)benzoic acid
CID 162444943
4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl](11C)benzoic acid
CID 170653108
4-chloro-3-fluorobenzoic acid
CID 2736536
4-(1-aminocyclopropyl)-3-chlorobenzoic acid
CID 84781989
terephthalic acid;trichlorobismuthane
CID 175456878

Frequently Asked Questions

What is the IUPAC name of CID 147460605?
The IUPAC name of CID 147460605 (CID 147460605) is not available.
What is the SMILES notation for CID 147460605?
The canonical SMILES for CID 147460605 is C=C(c1ccc(C(=O)O)cc1)c1c(Cl)cc2c(c1F)C1(CCC23CC3)CC1.
What is the InChIKey of CID 147460605?
The InChIKey is DZWBJQYBIBOYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFO2/c1-13(14-2-4-15(5-3-14)21(26)27)18-17(24)12-16-19(20(18)25)23(10-11-23)9-8-22(16)6-7-22/h2-5,12H,1,6-11H2,(H,26,27).
What are the key properties of CID 147460605?
CID 147460605 has a molecular weight of 382.86 g/mol, XLogP of 6.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147460605 is sourced from PubChem (CID 147460605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).