7-chloro-4-methoxy-1-phenyl-9H-fluorene

C20H15ClO — CID 87158769

IUPAC7-chloro-4-methoxy-1-phenyl-9H-fluorene
SMILESCOc1ccc(-c2ccccc2)c2c1-c1ccc(Cl)cc1C2
InChIInChI=1S/C20H15ClO/c1-22-19-10-9-16(13-5-3-2-4-6-13)18-12-14-11-15(21)7-8-17(14)20(18)19/h2-11H,12H2,1H3
InChIKeyZCBPGZKCWSINEE-UHFFFAOYSA-N
MW306.79 g/mol
LogP5.59
Rot. Bonds2

About 7-chloro-4-methoxy-1-phenyl-9H-fluorene

7-chloro-4-methoxy-1-phenyl-9H-fluorene (PubChem CID 87158769) has the molecular formula C20H15ClO and a molecular weight of 306.79 g/mol. Its IUPAC name is 7-chloro-4-methoxy-1-phenyl-9H-fluorene.

Molecular Properties

Compound Name7-chloro-4-methoxy-1-phenyl-9H-fluorene
PubChem CID87158769
Molecular FormulaC20H15ClO
Molecular Weight306.79 g/mol
Exact Mass306.08
IUPAC Name7-chloro-4-methoxy-1-phenyl-9H-fluorene
SMILESCOc1ccc(-c2ccccc2)c2c1-c1ccc(Cl)cc1C2
InChIInChI=1S/C20H15ClO/c1-22-19-10-9-16(13-5-3-2-4-6-13)18-12-14-11-15(21)7-8-17(14)20(18)19/h2-11H,12H2,1H3
InChIKeyZCBPGZKCWSINEE-UHFFFAOYSA-N
XLogP5.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.79
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-dichloro-1,3-dimethoxy-9H-fluorene
CID 174911253
4-(4-chloro-2-methoxyphenyl)pyridin-1-ium
CID 143833713
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
4-chloro-2-fluoro-1-phenylbenzene
CID 18364130
3-(5-chloro-2-methoxyphenyl)-5-phenyl-1,2-oxazole
CID 150298354
2-(5-chloro-2-methoxyphenyl)-9,9,10,10-tetramethylphenanthrene
CID 163551176
5-chloro-3-(2-methoxyphenyl)-1H-indene
CID 59025516
3-chloro-5-(2-methoxyphenyl)benzoic acid
CID 53225406
5-phenyl-4-(2-phenylphenyl)-2-propan-2-yl-1H-indene
CID 87703693

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methoxy-1-phenyl-9H-fluorene?
The IUPAC name of 7-chloro-4-methoxy-1-phenyl-9H-fluorene (CID 87158769) is 7-chloro-4-methoxy-1-phenyl-9H-fluorene.
What is the SMILES notation for 7-chloro-4-methoxy-1-phenyl-9H-fluorene?
The canonical SMILES for 7-chloro-4-methoxy-1-phenyl-9H-fluorene is COc1ccc(-c2ccccc2)c2c1-c1ccc(Cl)cc1C2.
What is the InChIKey of 7-chloro-4-methoxy-1-phenyl-9H-fluorene?
The InChIKey is ZCBPGZKCWSINEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClO/c1-22-19-10-9-16(13-5-3-2-4-6-13)18-12-14-11-15(21)7-8-17(14)20(18)19/h2-11H,12H2,1H3.
What are the key properties of 7-chloro-4-methoxy-1-phenyl-9H-fluorene?
7-chloro-4-methoxy-1-phenyl-9H-fluorene has a molecular weight of 306.79 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methoxy-1-phenyl-9H-fluorene is sourced from PubChem (CID 87158769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).