4-[(2-chloro-6-methyl-4-phenylmethoxyphenyl)methyl]-3-fluoro-2-propan-2-ylphenol

C24H24ClFO2 — CID 170081193

IUPAC4-[(2-chloro-6-methyl-4-phenylmethoxyphenyl)methyl]-3-fluoro-2-propan-2-ylphenol
SMILESCc1cc(OCc2ccccc2)cc(Cl)c1Cc1ccc(O)c(C(C)C)c1F
InChIInChI=1S/C24H24ClFO2/c1-15(2)23-22(27)10-9-18(24(23)26)12-20-16(3)11-19(13-21(20)25)28-14-17-7-5-4-6-8-17/h4-11,13,15,27H,12,14H2,1-3H3
InChIKeyRKBAPCICJRBLOE-UHFFFAOYSA-N
MW398.91 g/mol
LogP6.79
Rot. Bonds6

About 4-[(2-chloro-6-methyl-4-phenylmethoxyphenyl)methyl]-3-fluoro-2-propan-2-ylphenol

4-[(2-chloro-6-methyl-4-phenylmethoxyphenyl)methyl]-3-fluoro-2-propan-2-ylphenol (PubChem CID 170081193) has the molecular formula C24H24ClFO2 and a molecular weight of 398.91 g/mol. Its IUPAC name is 4-[(2-chloro-6-methyl-4-phenylmethoxyphenyl)methyl]-3-fluoro-2-propan-2-ylphenol.

Molecular Properties

Compound Name4-[(2-chloro-6-methyl-4-phenylmethoxyphenyl)methyl]-3-fluoro-2-propan-2-ylphenol
PubChem CID170081193
Molecular FormulaC24H24ClFO2
Molecular Weight398.91 g/mol
Exact Mass398.14
IUPAC Name4-[(2-chloro-6-methyl-4-phenylmethoxyphenyl)methyl]-3-fluoro-2-propan-2-ylphenol
SMILESCc1cc(OCc2ccccc2)cc(Cl)c1Cc1ccc(O)c(C(C)C)c1F
InChIInChI=1S/C24H24ClFO2/c1-15(2)23-22(27)10-9-18(24(23)26)12-20-16(3)11-19(13-21(20)25)28-14-17-7-5-4-6-8-17/h4-11,13,15,27H,12,14H2,1-3H3
InChIKeyRKBAPCICJRBLOE-UHFFFAOYSA-N
XLogP6.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.91
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,5-dichloro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]phenyl]sulfanylacetic acid
CID 162522625
3-[3,5-dichloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]phenyl]propanoic acid
CID 162522765
2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene
CID 68866864
2-[5-chloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]-3-methylanilino]-N-methylacetamide
CID 162522729
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
[3,5-dichloro-4-[[2-fluoro-4-(methoxymethoxy)-3-propan-2-ylphenyl]methyl]phenyl] trifluoromethanesulfonate
CID 169008694
1-chloro-2-fluoro-5-phenylmethoxy-3-(trifluoromethyl)benzene
CID 125116513
2-[5-chloro-2-fluoro-4-[(2-fluoro-4-hydroxy-3-propan-2-ylphenyl)methyl]phenoxy]-N,N-dimethylacetamide
CID 162522452
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
N-methyl-1-(2-methyl-4-phenylmethoxyphenyl)methanamine
CID 82553597
1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane
CID 142106571
1-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-5-phenylpentan-2-one
CID 159161743

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-methyl-4-phenylmethoxyphenyl)methyl]-3-fluoro-2-propan-2-ylphenol?
The IUPAC name of 4-[(2-chloro-6-methyl-4-phenylmethoxyphenyl)methyl]-3-fluoro-2-propan-2-ylphenol (CID 170081193) is 4-[(2-chloro-6-methyl-4-phenylmethoxyphenyl)methyl]-3-fluoro-2-propan-2-ylphenol.
What is the SMILES notation for 4-[(2-chloro-6-methyl-4-phenylmethoxyphenyl)methyl]-3-fluoro-2-propan-2-ylphenol?
The canonical SMILES for 4-[(2-chloro-6-methyl-4-phenylmethoxyphenyl)methyl]-3-fluoro-2-propan-2-ylphenol is Cc1cc(OCc2ccccc2)cc(Cl)c1Cc1ccc(O)c(C(C)C)c1F.
What is the InChIKey of 4-[(2-chloro-6-methyl-4-phenylmethoxyphenyl)methyl]-3-fluoro-2-propan-2-ylphenol?
The InChIKey is RKBAPCICJRBLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFO2/c1-15(2)23-22(27)10-9-18(24(23)26)12-20-16(3)11-19(13-21(20)25)28-14-17-7-5-4-6-8-17/h4-11,13,15,27H,12,14H2,1-3H3.
What are the key properties of 4-[(2-chloro-6-methyl-4-phenylmethoxyphenyl)methyl]-3-fluoro-2-propan-2-ylphenol?
4-[(2-chloro-6-methyl-4-phenylmethoxyphenyl)methyl]-3-fluoro-2-propan-2-ylphenol has a molecular weight of 398.91 g/mol, XLogP of 6.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-methyl-4-phenylmethoxyphenyl)methyl]-3-fluoro-2-propan-2-ylphenol is sourced from PubChem (CID 170081193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).