(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol

C16H18O2 — CID 78931579

IUPAC(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol
SMILESCc1ccccc1COc1ccccc1[C@H](C)O
InChIInChI=1S/C16H18O2/c1-12-7-3-4-8-14(12)11-18-16-10-6-5-9-15(16)13(2)17/h3-10,13,17H,11H2,1-2H3/t13-/m0/s1
InChIKeyKRSRXEYVRLHXKS-ZDUSSCGKSA-N
MW242.32 g/mol
LogP3.63
Rot. Bonds4

About (1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol

(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol (PubChem CID 78931579) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol
PubChem CID78931579
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol
SMILESCc1ccccc1COc1ccccc1[C@H](C)O
InChIInChI=1S/C16H18O2/c1-12-7-3-4-8-14(12)11-18-16-10-6-5-9-15(16)13(2)17/h3-10,13,17H,11H2,1-2H3/t13-/m0/s1
InChIKeyKRSRXEYVRLHXKS-ZDUSSCGKSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol
CID 55147459
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 63364801
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 30079943
(1S)-1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanol
CID 78933829
1-[2-(quinolin-8-ylmethoxy)phenyl]ethanol
CID 43503960
(1S)-1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]ethanol
CID 78931588
1-[2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 43504033
1-[2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 102856269
(1S)-1-[2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 78931636
(1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol
CID 79231192
1-[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanol
CID 43503944
1-[2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 114850092

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol (CID 78931579) is (1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol is Cc1ccccc1COc1ccccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol?
The InChIKey is KRSRXEYVRLHXKS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18O2/c1-12-7-3-4-8-14(12)11-18-16-10-6-5-9-15(16)13(2)17/h3-10,13,17H,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol?
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol has a molecular weight of 242.32 g/mol, XLogP of 3.63, 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-methylphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 78931579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).