2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol

C18H20O — CID 61101012

IUPAC2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc3c(c2)CCC3)cc1C
InChIInChI=1S/C18H20O/c1-12-6-7-16(10-13(12)2)18(19)17-9-8-14-4-3-5-15(14)11-17/h6-11,18-19H,3-5H2,1-2H3
InChIKeyTUECOLJGHQKHRL-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.87
Rot. Bonds2

About 2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol

2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol (PubChem CID 61101012) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol
PubChem CID61101012
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc3c(c2)CCC3)cc1C
InChIInChI=1S/C18H20O/c1-12-6-7-16(10-13(12)2)18(19)17-9-8-14-4-3-5-15(14)11-17/h6-11,18-19H,3-5H2,1-2H3
InChIKeyTUECOLJGHQKHRL-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 81476719
(5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65307271
2,3-dihydro-1H-inden-5-yl-(4-fluorophenyl)methanol
CID 61100715
2,3-dihydro-1H-inden-5-yl-(4-methylsulfanylphenyl)methanol
CID 79217216
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 115818011
(3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 114194374
5-[bromo-(3-bromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81476485
(2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 107983332
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol
CID 61088523
2,3-dihydro-1H-inden-5-yl(1H-pyrrol-3-yl)methanol
CID 63749815
(2,3-dimethylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 61100684

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol (CID 61101012) is 2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol is Cc1ccc(C(O)c2ccc3c(c2)CCC3)cc1C.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol?
The InChIKey is TUECOLJGHQKHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-12-6-7-16(10-13(12)2)18(19)17-9-8-14-4-3-5-15(14)11-17/h6-11,18-19H,3-5H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol?
2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol has a molecular weight of 252.36 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-(3,4-dimethylphenyl)methanol is sourced from PubChem (CID 61101012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).