(6E)-8-chloro-6-ethylidene-7-methylbenzo[c]chromene

C16H13ClO — CID 167137718

IUPAC(6E)-8-chloro-6-ethylidene-7-methylbenzo[c]chromene
SMILESC/C=C1/Oc2ccccc2-c2ccc(Cl)c(C)c21
InChIInChI=1S/C16H13ClO/c1-3-14-16-10(2)13(17)9-8-12(16)11-6-4-5-7-15(11)18-14/h3-9H,1-2H3/b14-3+
InChIKeyCZDJLRWELWPGOG-LZWSPWQCSA-N
MW256.73 g/mol
LogP5.07
Rot. Bonds

About (6E)-8-chloro-6-ethylidene-7-methylbenzo[c]chromene

(6E)-8-chloro-6-ethylidene-7-methylbenzo[c]chromene (PubChem CID 167137718) has the molecular formula C16H13ClO and a molecular weight of 256.73 g/mol. Its IUPAC name is (6E)-8-chloro-6-ethylidene-7-methylbenzo[c]chromene.

Molecular Properties

Compound Name(6E)-8-chloro-6-ethylidene-7-methylbenzo[c]chromene
PubChem CID167137718
Molecular FormulaC16H13ClO
Molecular Weight256.73 g/mol
Exact Mass256.07
IUPAC Name(6E)-8-chloro-6-ethylidene-7-methylbenzo[c]chromene
SMILESC/C=C1/Oc2ccccc2-c2ccc(Cl)c(C)c21
InChIInChI=1S/C16H13ClO/c1-3-14-16-10(2)13(17)9-8-12(16)11-6-4-5-7-15(11)18-14/h3-9H,1-2H3/b14-3+
InChIKeyCZDJLRWELWPGOG-LZWSPWQCSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.73
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6E)-8-chloro-6-ethylidene-7-methylbenzo[c]chromene?
The IUPAC name of (6E)-8-chloro-6-ethylidene-7-methylbenzo[c]chromene (CID 167137718) is (6E)-8-chloro-6-ethylidene-7-methylbenzo[c]chromene.
What is the SMILES notation for (6E)-8-chloro-6-ethylidene-7-methylbenzo[c]chromene?
The canonical SMILES for (6E)-8-chloro-6-ethylidene-7-methylbenzo[c]chromene is C/C=C1/Oc2ccccc2-c2ccc(Cl)c(C)c21.
What is the InChIKey of (6E)-8-chloro-6-ethylidene-7-methylbenzo[c]chromene?
The InChIKey is CZDJLRWELWPGOG-LZWSPWQCSA-N. The full InChI is InChI=1S/C16H13ClO/c1-3-14-16-10(2)13(17)9-8-12(16)11-6-4-5-7-15(11)18-14/h3-9H,1-2H3/b14-3+.
What are the key properties of (6E)-8-chloro-6-ethylidene-7-methylbenzo[c]chromene?
(6E)-8-chloro-6-ethylidene-7-methylbenzo[c]chromene has a molecular weight of 256.73 g/mol, XLogP of 5.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-8-chloro-6-ethylidene-7-methylbenzo[c]chromene is sourced from PubChem (CID 167137718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).