[4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol

C17H20O2 — CID 124567142

IUPAC[4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol
SMILESCc1ccc(O[C@H](C)Cc2ccc(CO)cc2)cc1
InChIInChI=1S/C17H20O2/c1-13-3-9-17(10-4-13)19-14(2)11-15-5-7-16(12-18)8-6-15/h3-10,14,18H,11-12H2,1-2H3/t14-/m1/s1
InChIKeyNIYSHKKELUYCOE-CQSZACIVSA-N
MW256.34 g/mol
LogP3.50
Rot. Bonds5

About [4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol

[4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol (PubChem CID 124567142) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is [4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol
PubChem CID124567142
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name[4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol
SMILESCc1ccc(O[C@H](C)Cc2ccc(CO)cc2)cc1
InChIInChI=1S/C17H20O2/c1-13-3-9-17(10-4-13)19-14(2)11-15-5-7-16(12-18)8-6-15/h3-10,14,18H,11-12H2,1-2H3/t14-/m1/s1
InChIKeyNIYSHKKELUYCOE-CQSZACIVSA-N
XLogP3.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(chloromethyl)-4-[2-(4-methylphenoxy)propyl]benzene
CID 67328041
(3S)-3-[4-(hydroxymethyl)phenoxy]butanoic acid
CID 103547969
[4-[2-[4-(hydroxymethyl)phenoxy]propoxy]phenyl]methanol
CID 118229829
(4-methylphenyl)methanol
CID 138734499
4-[(1S)-1-(4-methylphenoxy)-3-[4-[(2S)-2-(4-methylphenoxy)propyl]phenoxy]propyl]phenol
CID 147998272
2-(4-methylphenyl)-1-phenoxyethanol
CID 57226645
2-[4-(hydroxymethyl)phenoxy]-3-methylbutanoic acid
CID 60705654
ethane;(4-methylphenyl)methanol;hydrate
CID 144684706
4-(4-methylphenoxy)pentanoic acid
CID 62214144
1-(2-methoxypropyl)-4-(4-methylphenyl)benzene
CID 145316433
1-(1-methoxypropan-2-yloxy)-4-methylbenzene
CID 64765827
(2S)-2-(4-methoxyphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525673

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol?
The IUPAC name of [4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol (CID 124567142) is [4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol.
What is the SMILES notation for [4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol?
The canonical SMILES for [4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol is Cc1ccc(O[C@H](C)Cc2ccc(CO)cc2)cc1.
What is the InChIKey of [4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol?
The InChIKey is NIYSHKKELUYCOE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20O2/c1-13-3-9-17(10-4-13)19-14(2)11-15-5-7-16(12-18)8-6-15/h3-10,14,18H,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of [4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol?
[4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol has a molecular weight of 256.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-2-(4-methylphenoxy)propyl]phenyl]methanol is sourced from PubChem (CID 124567142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).