(1S)-1-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)-5-methylphenyl]ethanol

C19H22O2 — CID 78965236

IUPAC(1S)-1-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)-5-methylphenyl]ethanol
SMILESCc1ccc(OCc2ccc3c(c2)CCC3)c([C@H](C)O)c1
InChIInChI=1S/C19H22O2/c1-13-6-9-19(18(10-13)14(2)20)21-12-15-7-8-16-4-3-5-17(16)11-15/h6-11,14,20H,3-5,12H2,1-2H3/t14-/m0/s1
InChIKeyDHPXKCFUJXWEKD-AWEZNQCLSA-N
MW282.38 g/mol
LogP4.12
Rot. Bonds4

About (1S)-1-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)-5-methylphenyl]ethanol

(1S)-1-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)-5-methylphenyl]ethanol (PubChem CID 78965236) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (1S)-1-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)-5-methylphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)-5-methylphenyl]ethanol
PubChem CID78965236
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(1S)-1-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)-5-methylphenyl]ethanol
SMILESCc1ccc(OCc2ccc3c(c2)CCC3)c([C@H](C)O)c1
InChIInChI=1S/C19H22O2/c1-13-6-9-19(18(10-13)14(2)20)21-12-15-7-8-16-4-3-5-17(16)11-15/h6-11,14,20H,3-5,12H2,1-2H3/t14-/m0/s1
InChIKeyDHPXKCFUJXWEKD-AWEZNQCLSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[(3,5-difluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 105404171
(1S)-1-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanol
CID 78933642
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-[2-[(2,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanol
CID 61481674
(1S)-1-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]ethanol
CID 104798701
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol
CID 106864318
1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol
CID 55031626
1-[2-(2-ethoxyethoxy)-5-methylphenyl]ethanol
CID 43505298
1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
CID 65213913
(1S)-1-[2-[(2,6-difluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 104984970
5-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63444363
2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115864890

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)-5-methylphenyl]ethanol?
The IUPAC name of (1S)-1-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)-5-methylphenyl]ethanol (CID 78965236) is (1S)-1-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)-5-methylphenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)-5-methylphenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)-5-methylphenyl]ethanol is Cc1ccc(OCc2ccc3c(c2)CCC3)c([C@H](C)O)c1.
What is the InChIKey of (1S)-1-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)-5-methylphenyl]ethanol?
The InChIKey is DHPXKCFUJXWEKD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22O2/c1-13-6-9-19(18(10-13)14(2)20)21-12-15-7-8-16-4-3-5-17(16)11-15/h6-11,14,20H,3-5,12H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)-5-methylphenyl]ethanol?
(1S)-1-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)-5-methylphenyl]ethanol has a molecular weight of 282.38 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)-5-methylphenyl]ethanol is sourced from PubChem (CID 78965236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).