(1S)-1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanol

C19H18O2 — CID 78933829

IUPAC(1S)-1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccccc1OCc1cccc2ccccc12
InChIInChI=1S/C19H18O2/c1-14(20)17-10-4-5-12-19(17)21-13-16-9-6-8-15-7-2-3-11-18(15)16/h2-12,14,20H,13H2,1H3/t14-/m0/s1
InChIKeyXFMJJDADTMESPI-AWEZNQCLSA-N
MW278.35 g/mol
LogP4.47
Rot. Bonds4

About (1S)-1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanol

(1S)-1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanol (PubChem CID 78933829) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is (1S)-1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanol
PubChem CID78933829
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name(1S)-1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccccc1OCc1cccc2ccccc12
InChIInChI=1S/C19H18O2/c1-14(20)17-10-4-5-12-19(17)21-13-16-9-6-8-15-7-2-3-11-18(15)16/h2-12,14,20H,13H2,1H3/t14-/m0/s1
InChIKeyXFMJJDADTMESPI-AWEZNQCLSA-N
XLogP4.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-propan-2-ylphenoxy)methyl]naphthalene
CID 60627391
1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanamine
CID 60880695
1-[2-(quinolin-8-ylmethoxy)phenyl]ethanol
CID 43503960
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol
CID 78931579
(1R)-1-[2-(quinolin-4-ylmethoxy)phenyl]ethanol
CID 79231192
1-[2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 102856269
(1S)-1-[2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 78931636
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 63364801
1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43504002
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 78931365
1-[2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 43504033
1-[2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 114850092

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanol (CID 78933829) is (1S)-1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanol is C[C@H](O)c1ccccc1OCc1cccc2ccccc12.
What is the InChIKey of (1S)-1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanol?
The InChIKey is XFMJJDADTMESPI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18O2/c1-14(20)17-10-4-5-12-19(17)21-13-16-9-6-8-15-7-2-3-11-18(15)16/h2-12,14,20H,13H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanol?
(1S)-1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanol has a molecular weight of 278.35 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(naphthalen-1-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 78933829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).