(1S)-1-(3,4-dichlorophenyl)-5-methoxy-1H-indene

C16H12Cl2O — CID 129363851

IUPAC(1S)-1-(3,4-dichlorophenyl)-5-methoxy-1H-indene
SMILESCOc1ccc2c(c1)C=C[C@H]2c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2O/c1-19-12-4-6-14-10(8-12)2-5-13(14)11-3-7-15(17)16(18)9-11/h2-9,13H,1H3/t13-/m0/s1
InChIKeyTWVAPRSSKLMXAM-ZDUSSCGKSA-N
MW291.18 g/mol
LogP5.16
Rot. Bonds2

About (1S)-1-(3,4-dichlorophenyl)-5-methoxy-1H-indene

(1S)-1-(3,4-dichlorophenyl)-5-methoxy-1H-indene (PubChem CID 129363851) has the molecular formula C16H12Cl2O and a molecular weight of 291.18 g/mol. Its IUPAC name is (1S)-1-(3,4-dichlorophenyl)-5-methoxy-1H-indene.

Molecular Properties

Compound Name(1S)-1-(3,4-dichlorophenyl)-5-methoxy-1H-indene
PubChem CID129363851
Molecular FormulaC16H12Cl2O
Molecular Weight291.18 g/mol
Exact Mass290.03
IUPAC Name(1S)-1-(3,4-dichlorophenyl)-5-methoxy-1H-indene
SMILESCOc1ccc2c(c1)C=C[C@H]2c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2O/c1-19-12-4-6-14-10(8-12)2-5-13(14)11-3-7-15(17)16(18)9-11/h2-9,13H,1H3/t13-/m0/s1
InChIKeyTWVAPRSSKLMXAM-ZDUSSCGKSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.18
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,3S)-3-chloro-1-(3,4-dichlorophenyl)-5-methoxy-2,3-dihydro-1H-indene
CID 131864192
5-methoxy-1H-inden-1-amine
CID 82157971
5-methoxy-1-(6-methoxy-1H-inden-4-yl)-1H-indene
CID 126638907
(1S,3R)-3-(3,4-dichlorophenyl)-6-methoxy-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45264957
5-methoxy-1H-indene-1-carboxylic acid
CID 82158116
dichlorozirconium;1-(2,4-dimethoxyphenyl)-1H-indene
CID 174442019
4-(3,4-dichlorophenyl)-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 66808975
(1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 159474577
(4S)-4-(3,4-dichlorophenyl)-4H-naphthalen-1-one
CID 163779866
1-chloro-6-methoxy-2-methyl-1H-isoquinoline
CID 141404601
1-(3,4-dichlorophenyl)-7-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 91180485
(1S,3S)-1-(3,4-dichlorophenyl)-3-ethyl-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 159852453

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,4-dichlorophenyl)-5-methoxy-1H-indene?
The IUPAC name of (1S)-1-(3,4-dichlorophenyl)-5-methoxy-1H-indene (CID 129363851) is (1S)-1-(3,4-dichlorophenyl)-5-methoxy-1H-indene.
What is the SMILES notation for (1S)-1-(3,4-dichlorophenyl)-5-methoxy-1H-indene?
The canonical SMILES for (1S)-1-(3,4-dichlorophenyl)-5-methoxy-1H-indene is COc1ccc2c(c1)C=C[C@H]2c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (1S)-1-(3,4-dichlorophenyl)-5-methoxy-1H-indene?
The InChIKey is TWVAPRSSKLMXAM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H12Cl2O/c1-19-12-4-6-14-10(8-12)2-5-13(14)11-3-7-15(17)16(18)9-11/h2-9,13H,1H3/t13-/m0/s1.
What are the key properties of (1S)-1-(3,4-dichlorophenyl)-5-methoxy-1H-indene?
(1S)-1-(3,4-dichlorophenyl)-5-methoxy-1H-indene has a molecular weight of 291.18 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,4-dichlorophenyl)-5-methoxy-1H-indene is sourced from PubChem (CID 129363851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).