2-chloro-3-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,4-dimethylidenenaphthalene

C18H17Cl — CID 143782740

IUPAC2-chloro-3-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,4-dimethylidenenaphthalene
SMILESC=C(C)/C(C)=C/c1c(Cl)c(=C)c2ccccc2c1=C
InChIInChI=1S/C18H17Cl/c1-11(2)12(3)10-17-13(4)15-8-6-7-9-16(15)14(5)18(17)19/h6-10H,1,4-5H2,2-3H3/b12-10+
InChIKeyGILWNOBFUYIXFA-ZRDIBKRKSA-N
MW268.79 g/mol
LogP4.29
Rot. Bonds2

About 2-chloro-3-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,4-dimethylidenenaphthalene

2-chloro-3-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,4-dimethylidenenaphthalene (PubChem CID 143782740) has the molecular formula C18H17Cl and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-3-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,4-dimethylidenenaphthalene.

Molecular Properties

Compound Name2-chloro-3-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,4-dimethylidenenaphthalene
PubChem CID143782740
Molecular FormulaC18H17Cl
Molecular Weight268.79 g/mol
Exact Mass268.10
IUPAC Name2-chloro-3-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,4-dimethylidenenaphthalene
SMILESC=C(C)/C(C)=C/c1c(Cl)c(=C)c2ccccc2c1=C
InChIInChI=1S/C18H17Cl/c1-11(2)12(3)10-17-13(4)15-8-6-7-9-16(15)14(5)18(17)19/h6-10H,1,4-5H2,2-3H3/b12-10+
InChIKeyGILWNOBFUYIXFA-ZRDIBKRKSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[2-[(1E)-2,3-dimethylbuta-1,3-dienyl]phenyl]methanol
CID 102089756
1-bromo-2-(2,3-dimethylbuta-1,3-dienyl)benzene
CID 145082215
(E)-3-(2-chloro-1H-indol-3-yl)-2-methylprop-2-enoic acid
CID 10376801
(E)-4-(3-chloro-4-ethyl-1-methylnaphthalen-2-yl)-3-methylbut-3-en-2-one
CID 143782710
3-(3-chloro-1,4-dimethoxynaphthalen-2-yl)-N-(2-hydroxyethyl)-2-methylprop-2-enamide
CID 68772592
(E)-3-(3-chloro-1,4-dimethoxynaphthalen-2-yl)-N-(2-hydroxyethyl)-2-methylprop-2-enamide
CID 46180170
2-chloro-4-methyl-3-[(1E)-2-methyl-3-(propylamino)buta-1,3-dienyl]naphthalen-1-ol
CID 134483842
9-(6-methyl-2,3-dimethylidenehepta-4,6-dienylidene)-10-methylidenephenanthrene
CID 123440428
(E)-3-(1-butyl-2-chloroindol-3-yl)-2-methylprop-2-enoic acid
CID 82268377
2-[(1Z)-2,3-dimethylbuta-1,3-dienyl]-3-methyl-1H-pyrrole
CID 138569673
(4-chloronaphthalen-1-yl) 2-methylprop-2-enoate
CID 13195611
(E)-2-methyl-3-(2-methylnaphthalen-1-yl)prop-2-enoic acid
CID 170873203

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,4-dimethylidenenaphthalene?
The IUPAC name of 2-chloro-3-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,4-dimethylidenenaphthalene (CID 143782740) is 2-chloro-3-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,4-dimethylidenenaphthalene.
What is the SMILES notation for 2-chloro-3-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,4-dimethylidenenaphthalene?
The canonical SMILES for 2-chloro-3-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,4-dimethylidenenaphthalene is C=C(C)/C(C)=C/c1c(Cl)c(=C)c2ccccc2c1=C.
What is the InChIKey of 2-chloro-3-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,4-dimethylidenenaphthalene?
The InChIKey is GILWNOBFUYIXFA-ZRDIBKRKSA-N. The full InChI is InChI=1S/C18H17Cl/c1-11(2)12(3)10-17-13(4)15-8-6-7-9-16(15)14(5)18(17)19/h6-10H,1,4-5H2,2-3H3/b12-10+.
What are the key properties of 2-chloro-3-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,4-dimethylidenenaphthalene?
2-chloro-3-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,4-dimethylidenenaphthalene has a molecular weight of 268.79 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1,4-dimethylidenenaphthalene is sourced from PubChem (CID 143782740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).