1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol

C18H19ClO2 — CID 115803420

IUPAC1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
SMILESCOc1cc(Cl)ccc1C(O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H19ClO2/c1-21-18-11-15(19)7-8-16(18)17(20)10-12-5-6-13-3-2-4-14(13)9-12/h5-9,11,17,20H,2-4,10H2,1H3
InChIKeyNIGOPXIGCKDNAP-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.11
Rot. Bonds4

About 1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol

1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol (PubChem CID 115803420) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
PubChem CID115803420
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
SMILESCOc1cc(Cl)ccc1C(O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C18H19ClO2/c1-21-18-11-15(19)7-8-16(18)17(20)10-12-5-6-13-3-2-4-14(13)9-12/h5-9,11,17,20H,2-4,10H2,1H3
InChIKeyNIGOPXIGCKDNAP-UHFFFAOYSA-N
XLogP4.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018032
1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782250
1-(4-chloro-2-methoxyphenyl)-2-phenylethanol
CID 63017540
6-[chloro-(4-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430805
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 65101112
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
2-(2-amino-4-pyridinyl)-1-(4-chloro-2-methoxyphenyl)ethanol
CID 106819367
(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012
1-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974430
(3S)-3-(4-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
CID 96804173
1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol
CID 114978934
(4-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanol
CID 62079642

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol (CID 115803420) is 1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol is COc1cc(Cl)ccc1C(O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol?
The InChIKey is NIGOPXIGCKDNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2/c1-21-18-11-15(19)7-8-16(18)17(20)10-12-5-6-13-3-2-4-14(13)9-12/h5-9,11,17,20H,2-4,10H2,1H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol?
1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol has a molecular weight of 302.80 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol is sourced from PubChem (CID 115803420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).