1-(2-chlorophenyl)-2-methylidene-1H-benzo[e][1]benzofuran

C19H13ClO — CID 132583807

IUPAC1-(2-chlorophenyl)-2-methylidene-1H-benzo[e][1]benzofuran
SMILESC=C1Oc2ccc3ccccc3c2C1c1ccccc1Cl
InChIInChI=1S/C19H13ClO/c1-12-18(15-8-4-5-9-16(15)20)19-14-7-3-2-6-13(14)10-11-17(19)21-12/h2-11,18H,1H2
InChIKeyRCZMPKPOVVVRLC-UHFFFAOYSA-N
MW292.76 g/mol
LogP5.53
Rot. Bonds1

About 1-(2-chlorophenyl)-2-methylidene-1H-benzo[e][1]benzofuran

1-(2-chlorophenyl)-2-methylidene-1H-benzo[e][1]benzofuran (PubChem CID 132583807) has the molecular formula C19H13ClO and a molecular weight of 292.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-methylidene-1H-benzo[e][1]benzofuran.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-methylidene-1H-benzo[e][1]benzofuran
PubChem CID132583807
Molecular FormulaC19H13ClO
Molecular Weight292.76 g/mol
Exact Mass292.07
IUPAC Name1-(2-chlorophenyl)-2-methylidene-1H-benzo[e][1]benzofuran
SMILESC=C1Oc2ccc3ccccc3c2C1c1ccccc1Cl
InChIInChI=1S/C19H13ClO/c1-12-18(15-8-4-5-9-16(15)20)19-14-7-3-2-6-13(14)10-11-17(19)21-12/h2-11,18H,1H2
InChIKeyRCZMPKPOVVVRLC-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.76
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 675919
ethyl (1S)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carboxylate
CID 7039551
2-methylidene-1-[4-(trifluoromethyl)phenyl]-1H-benzo[e][1]benzofuran
CID 132583802
N-[(1R)-1-(2-chlorophenyl)-2-cyano-1H-benzo[f]chromen-3-yl]acetamide
CID 51852484
1-ethyl-2-methylidene-1H-benzo[e][1]benzofuran
CID 132583813
1-(2-chlorophenyl)-3-[(3-oxocyclohexen-1-yl)amino]-1H-benzo[f]chromene-2-carbonitrile
CID 139218106
12-naphthalen-1-yl-9-phenyl-12H-benzo[a]xanthene
CID 154964818
4-(12H-benzo[a]xanthen-12-yl)-N,N-dimethylaniline
CID 45258388
(1S)-3-amino-1-naphthalen-1-yl-1H-benzo[f]chromene-2-carbonitrile
CID 689158
6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene
CID 176994638
6-(2-chlorophenyl)-2-phenyl-12-oxa-5,7,8,10-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(13),3(11),4,6,9,14,16,18,20-nonaene
CID 3282458
2-[4-(10-phenylanthracen-9-yl)phenyl]-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578133

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-methylidene-1H-benzo[e][1]benzofuran?
The IUPAC name of 1-(2-chlorophenyl)-2-methylidene-1H-benzo[e][1]benzofuran (CID 132583807) is 1-(2-chlorophenyl)-2-methylidene-1H-benzo[e][1]benzofuran.
What is the SMILES notation for 1-(2-chlorophenyl)-2-methylidene-1H-benzo[e][1]benzofuran?
The canonical SMILES for 1-(2-chlorophenyl)-2-methylidene-1H-benzo[e][1]benzofuran is C=C1Oc2ccc3ccccc3c2C1c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-methylidene-1H-benzo[e][1]benzofuran?
The InChIKey is RCZMPKPOVVVRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClO/c1-12-18(15-8-4-5-9-16(15)20)19-14-7-3-2-6-13(14)10-11-17(19)21-12/h2-11,18H,1H2.
What are the key properties of 1-(2-chlorophenyl)-2-methylidene-1H-benzo[e][1]benzofuran?
1-(2-chlorophenyl)-2-methylidene-1H-benzo[e][1]benzofuran has a molecular weight of 292.76 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-methylidene-1H-benzo[e][1]benzofuran is sourced from PubChem (CID 132583807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).