7-chloro-2,3-dimethylbenzo[f][1]benzofuran

C14H11ClO — CID 176753775

IUPAC7-chloro-2,3-dimethylbenzo[f][1]benzofuran
SMILESCc1oc2cc3cc(Cl)ccc3cc2c1C
InChIInChI=1S/C14H11ClO/c1-8-9(2)16-14-7-11-5-12(15)4-3-10(11)6-13(8)14/h3-7H,1-2H3
InChIKeyJSGDIPPAGVPFDH-UHFFFAOYSA-N
MW230.69 g/mol
LogP4.86
Rot. Bonds

About 7-chloro-2,3-dimethylbenzo[f][1]benzofuran

7-chloro-2,3-dimethylbenzo[f][1]benzofuran (PubChem CID 176753775) has the molecular formula C14H11ClO and a molecular weight of 230.69 g/mol. Its IUPAC name is 7-chloro-2,3-dimethylbenzo[f][1]benzofuran.

Molecular Properties

Compound Name7-chloro-2,3-dimethylbenzo[f][1]benzofuran
PubChem CID176753775
Molecular FormulaC14H11ClO
Molecular Weight230.69 g/mol
Exact Mass230.05
IUPAC Name7-chloro-2,3-dimethylbenzo[f][1]benzofuran
SMILESCc1oc2cc3cc(Cl)ccc3cc2c1C
InChIInChI=1S/C14H11ClO/c1-8-9(2)16-14-7-11-5-12(15)4-3-10(11)6-13(8)14/h3-7H,1-2H3
InChIKeyJSGDIPPAGVPFDH-UHFFFAOYSA-N
XLogP4.86
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,6,7-tetramethylfuro[2,3-f][1]benzofuran
CID 170670996
2,6-dichloro-3-methyl-1-benzofuran
CID 151191447
3-chloro-8-[(4-methoxyphenyl)methoxy]naphtho[2,3-b][1]benzofuran
CID 139574666
2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one
CID 707707
5-chloro-1-methyl-2-benzofuran
CID 67274520
7-chloro-3-methylnaphthalen-2-ol
CID 20595192
5-chloro-3-(4-methoxyphenyl)-2-methyl-1-benzofuran
CID 788114
7-N,7-N,17-N,17-N-tetrakis(3,4,5-trimethylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 146497116
2-chloronaphthalene;naphthalene
CID 159169098
2,16-dimethyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaene
CID 126657797
2,8-dichloro-5,12-bis(4-chlorophenyl)tetracene
CID 59992702
6-ethyl-2,3-dimethyl-1-benzofuran
CID 121007663

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3-dimethylbenzo[f][1]benzofuran?
The IUPAC name of 7-chloro-2,3-dimethylbenzo[f][1]benzofuran (CID 176753775) is 7-chloro-2,3-dimethylbenzo[f][1]benzofuran.
What is the SMILES notation for 7-chloro-2,3-dimethylbenzo[f][1]benzofuran?
The canonical SMILES for 7-chloro-2,3-dimethylbenzo[f][1]benzofuran is Cc1oc2cc3cc(Cl)ccc3cc2c1C.
What is the InChIKey of 7-chloro-2,3-dimethylbenzo[f][1]benzofuran?
The InChIKey is JSGDIPPAGVPFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO/c1-8-9(2)16-14-7-11-5-12(15)4-3-10(11)6-13(8)14/h3-7H,1-2H3.
What are the key properties of 7-chloro-2,3-dimethylbenzo[f][1]benzofuran?
7-chloro-2,3-dimethylbenzo[f][1]benzofuran has a molecular weight of 230.69 g/mol, XLogP of 4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-dimethylbenzo[f][1]benzofuran is sourced from PubChem (CID 176753775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).