(1S)-1-(4-methoxy-3-methylphenyl)ethanol

C10H14O2 — CID 39236071

IUPAC(1S)-1-(4-methoxy-3-methylphenyl)ethanol
SMILESCOc1ccc([C@H](C)O)cc1C
InChIInChI=1S/C10H14O2/c1-7-6-9(8(2)11)4-5-10(7)12-3/h4-6,8,11H,1-3H3/t8-/m0/s1
InChIKeyNATDHZQROBIOSH-QMMMGPOBSA-N
MW166.22 g/mol
LogP2.06
Rot. Bonds2

About (1S)-1-(4-methoxy-3-methylphenyl)ethanol

(1S)-1-(4-methoxy-3-methylphenyl)ethanol (PubChem CID 39236071) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (1S)-1-(4-methoxy-3-methylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4-methoxy-3-methylphenyl)ethanol
PubChem CID39236071
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(1S)-1-(4-methoxy-3-methylphenyl)ethanol
SMILESCOc1ccc([C@H](C)O)cc1C
InChIInChI=1S/C10H14O2/c1-7-6-9(8(2)11)4-5-10(7)12-3/h4-6,8,11H,1-3H3/t8-/m0/s1
InChIKeyNATDHZQROBIOSH-QMMMGPOBSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol
CID 96622534
4-(1-chloroethyl)-1-methoxy-2-methylbenzene
CID 61084240
4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene
CID 61097588
(1S)-1-(4-methoxy-3-methylphenyl)butan-1-ol
CID 39239112
(4-tert-butylphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080698
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
3-bromo-4-(4-methoxy-3-methylphenyl)pentan-2-one
CID 64719160
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 116857211
1-(6-methoxy-5,8-dimethylnaphthalen-2-yl)ethanol
CID 19844365
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
(1R)-1-(4-methoxy-3-methylphenyl)but-3-en-1-ol
CID 96823282

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxy-3-methylphenyl)ethanol?
The IUPAC name of (1S)-1-(4-methoxy-3-methylphenyl)ethanol (CID 39236071) is (1S)-1-(4-methoxy-3-methylphenyl)ethanol.
What is the SMILES notation for (1S)-1-(4-methoxy-3-methylphenyl)ethanol?
The canonical SMILES for (1S)-1-(4-methoxy-3-methylphenyl)ethanol is COc1ccc([C@H](C)O)cc1C.
What is the InChIKey of (1S)-1-(4-methoxy-3-methylphenyl)ethanol?
The InChIKey is NATDHZQROBIOSH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-6-9(8(2)11)4-5-10(7)12-3/h4-6,8,11H,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-1-(4-methoxy-3-methylphenyl)ethanol?
(1S)-1-(4-methoxy-3-methylphenyl)ethanol has a molecular weight of 166.22 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxy-3-methylphenyl)ethanol is sourced from PubChem (CID 39236071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).