(1S)-1-(1-butan-2-yloxynaphthalen-2-yl)ethanol

C16H20O2 — CID 63365420

IUPAC(1S)-1-(1-butan-2-yloxynaphthalen-2-yl)ethanol
SMILESCCC(C)Oc1c([C@H](C)O)ccc2ccccc12
InChIInChI=1S/C16H20O2/c1-4-11(2)18-16-14(12(3)17)10-9-13-7-5-6-8-15(13)16/h5-12,17H,4H2,1-3H3/t11?,12-/m0/s1
InChIKeyMQMQKWQGDMBEQN-KIYNQFGBSA-N
MW244.33 g/mol
LogP4.07
Rot. Bonds4

About (1S)-1-(1-butan-2-yloxynaphthalen-2-yl)ethanol

(1S)-1-(1-butan-2-yloxynaphthalen-2-yl)ethanol (PubChem CID 63365420) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (1S)-1-(1-butan-2-yloxynaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(1-butan-2-yloxynaphthalen-2-yl)ethanol
PubChem CID63365420
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(1S)-1-(1-butan-2-yloxynaphthalen-2-yl)ethanol
SMILESCCC(C)Oc1c([C@H](C)O)ccc2ccccc12
InChIInChI=1S/C16H20O2/c1-4-11(2)18-16-14(12(3)17)10-9-13-7-5-6-8-15(13)16/h5-12,17H,4H2,1-3H3/t11?,12-/m0/s1
InChIKeyMQMQKWQGDMBEQN-KIYNQFGBSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol
CID 107892203
1-(1-propan-2-yloxynaphthalen-2-yl)ethanol
CID 43504390
2-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxybutanenitrile
CID 63365505
(1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol
CID 63365584
2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-methylpropanamide
CID 78933491
(1R)-1-[1-[2-(diethylamino)ethoxy]naphthalen-2-yl]ethanol
CID 78933650
(1S)-1-(1-hexoxynaphthalen-2-yl)ethanol
CID 78944606
(1R)-1-[1-(2-fluoroethoxy)naphthalen-2-yl]ethanol
CID 80694280
1-[1-(2-methoxyethoxy)naphthalen-2-yl]ethanol
CID 43504354
(1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol
CID 63365341
3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
CID 63365385
(1S)-1-(1-cyclopentyloxynaphthalen-2-yl)ethanol
CID 78933591

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-butan-2-yloxynaphthalen-2-yl)ethanol?
The IUPAC name of (1S)-1-(1-butan-2-yloxynaphthalen-2-yl)ethanol (CID 63365420) is (1S)-1-(1-butan-2-yloxynaphthalen-2-yl)ethanol.
What is the SMILES notation for (1S)-1-(1-butan-2-yloxynaphthalen-2-yl)ethanol?
The canonical SMILES for (1S)-1-(1-butan-2-yloxynaphthalen-2-yl)ethanol is CCC(C)Oc1c([C@H](C)O)ccc2ccccc12.
What is the InChIKey of (1S)-1-(1-butan-2-yloxynaphthalen-2-yl)ethanol?
The InChIKey is MQMQKWQGDMBEQN-KIYNQFGBSA-N. The full InChI is InChI=1S/C16H20O2/c1-4-11(2)18-16-14(12(3)17)10-9-13-7-5-6-8-15(13)16/h5-12,17H,4H2,1-3H3/t11?,12-/m0/s1.
What are the key properties of (1S)-1-(1-butan-2-yloxynaphthalen-2-yl)ethanol?
(1S)-1-(1-butan-2-yloxynaphthalen-2-yl)ethanol has a molecular weight of 244.33 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-butan-2-yloxynaphthalen-2-yl)ethanol is sourced from PubChem (CID 63365420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).