9-(3-chlorophenyl)-1,2,3-trimethoxy-9H-fluorene

C22H19ClO3 — CID 132540432

IUPAC9-(3-chlorophenyl)-1,2,3-trimethoxy-9H-fluorene
SMILESCOc1cc2c(c(OC)c1OC)C(c1cccc(Cl)c1)c1ccccc1-2
InChIInChI=1S/C22H19ClO3/c1-24-18-12-17-15-9-4-5-10-16(15)19(13-7-6-8-14(23)11-13)20(17)22(26-3)21(18)25-2/h4-12,19H,1-3H3
InChIKeyVDOQGVINNMWEPW-UHFFFAOYSA-N
MW366.84 g/mol
LogP5.53
Rot. Bonds4

About 9-(3-chlorophenyl)-1,2,3-trimethoxy-9H-fluorene

9-(3-chlorophenyl)-1,2,3-trimethoxy-9H-fluorene (PubChem CID 132540432) has the molecular formula C22H19ClO3 and a molecular weight of 366.84 g/mol. Its IUPAC name is 9-(3-chlorophenyl)-1,2,3-trimethoxy-9H-fluorene.

Molecular Properties

Compound Name9-(3-chlorophenyl)-1,2,3-trimethoxy-9H-fluorene
PubChem CID132540432
Molecular FormulaC22H19ClO3
Molecular Weight366.84 g/mol
Exact Mass366.10
IUPAC Name9-(3-chlorophenyl)-1,2,3-trimethoxy-9H-fluorene
SMILESCOc1cc2c(c(OC)c1OC)C(c1cccc(Cl)c1)c1ccccc1-2
InChIInChI=1S/C22H19ClO3/c1-24-18-12-17-15-9-4-5-10-16(15)19(13-7-6-8-14(23)11-13)20(17)22(26-3)21(18)25-2/h4-12,19H,1-3H3
InChIKeyVDOQGVINNMWEPW-UHFFFAOYSA-N
XLogP5.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.84
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-methoxy-1H-isoindole
CID 122388639
(9R,18S,27R)-9,18,27-tris(3-methoxyphenyl)heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 11592706
9-(2-methoxyphenyl)-9H-fluorene
CID 10492416
2-methoxy-7-phenylbicyclo[4.1.0]hepta-1(6),2,4-triene
CID 174806926
1-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-1H-isoquinolin-4-one
CID 19098787
1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696
5-chloro-2-(2,3-dimethoxyphenyl)aniline
CID 82794309
4,5,6-trimethoxy-3-(3-methoxyphenyl)-2,3-dihydroinden-1-one
CID 44568001
(3-chloro-4-methoxyphenyl)-(3-chlorophenyl)iodanium
CID 6333148
N-(3-chlorophenyl)-3,4,5-trimethoxyaniline
CID 102029180
[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46095359
(1R)-1-(3-chlorophenyl)-6,7-dimethoxy-2-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 2254069

Frequently Asked Questions

What is the IUPAC name of 9-(3-chlorophenyl)-1,2,3-trimethoxy-9H-fluorene?
The IUPAC name of 9-(3-chlorophenyl)-1,2,3-trimethoxy-9H-fluorene (CID 132540432) is 9-(3-chlorophenyl)-1,2,3-trimethoxy-9H-fluorene.
What is the SMILES notation for 9-(3-chlorophenyl)-1,2,3-trimethoxy-9H-fluorene?
The canonical SMILES for 9-(3-chlorophenyl)-1,2,3-trimethoxy-9H-fluorene is COc1cc2c(c(OC)c1OC)C(c1cccc(Cl)c1)c1ccccc1-2.
What is the InChIKey of 9-(3-chlorophenyl)-1,2,3-trimethoxy-9H-fluorene?
The InChIKey is VDOQGVINNMWEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClO3/c1-24-18-12-17-15-9-4-5-10-16(15)19(13-7-6-8-14(23)11-13)20(17)22(26-3)21(18)25-2/h4-12,19H,1-3H3.
What are the key properties of 9-(3-chlorophenyl)-1,2,3-trimethoxy-9H-fluorene?
9-(3-chlorophenyl)-1,2,3-trimethoxy-9H-fluorene has a molecular weight of 366.84 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chlorophenyl)-1,2,3-trimethoxy-9H-fluorene is sourced from PubChem (CID 132540432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).