2-[(1S)-1-hydroxy-5-methylhexyl]naphthalen-1-ol

C17H22O2 — CID 70490928

IUPAC2-[(1S)-1-hydroxy-5-methylhexyl]naphthalen-1-ol
SMILESCC(C)CCC[C@H](O)c1ccc2ccccc2c1O
InChIInChI=1S/C17H22O2/c1-12(2)6-5-9-16(18)15-11-10-13-7-3-4-8-14(13)17(15)19/h3-4,7-8,10-12,16,18-19H,5-6,9H2,1-2H3/t16-/m0/s1
InChIKeyZDGUJEHITFIFRW-INIZCTEOSA-N
MW258.36 g/mol
LogP4.41
Rot. Bonds5

About 2-[(1S)-1-hydroxy-5-methylhexyl]naphthalen-1-ol

2-[(1S)-1-hydroxy-5-methylhexyl]naphthalen-1-ol (PubChem CID 70490928) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[(1S)-1-hydroxy-5-methylhexyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(1S)-1-hydroxy-5-methylhexyl]naphthalen-1-ol
PubChem CID70490928
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name2-[(1S)-1-hydroxy-5-methylhexyl]naphthalen-1-ol
SMILESCC(C)CCC[C@H](O)c1ccc2ccccc2c1O
InChIInChI=1S/C17H22O2/c1-12(2)6-5-9-16(18)15-11-10-13-7-3-4-8-14(13)17(15)19/h3-4,7-8,10-12,16,18-19H,5-6,9H2,1-2H3/t16-/m0/s1
InChIKeyZDGUJEHITFIFRW-INIZCTEOSA-N
XLogP4.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-bromoethyl)naphthalen-1-ol
CID 140980182
2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]naphthalen-1-ol
CID 82958657
2-[(1-hydroxynaphthalen-2-yl)-phosphanylmethyl]naphthalen-1-ol
CID 23082396
1-(2-iodophenyl)-5-methylhexan-1-ol
CID 115829982
2-[1-(ethoxyamino)ethyl]naphthalen-1-ol
CID 82709739
2-(6-methylheptan-2-yl)phenol
CID 163037790
6-methyl-1-naphthalen-1-ylheptan-2-ol
CID 105122822
2-[1-[methyl(3-methylbutan-2-yl)amino]ethyl]naphthalen-1-ol
CID 82977951
5-methyl-1-phenylhexan-1-ol
CID 10997859
1-(1-hydroxynaphthalen-2-yl)-3-sulfanylpropane-1,2-diol
CID 170820617
2-[2-(1-hydroxynaphthalen-2-yl)-3,6-di(propan-2-yl)phenyl]naphthalen-1-ol
CID 19862843
3-chloro-1-(1-hydroxynaphthalen-2-yl)propane-1,2-diol
CID 171862774

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-hydroxy-5-methylhexyl]naphthalen-1-ol?
The IUPAC name of 2-[(1S)-1-hydroxy-5-methylhexyl]naphthalen-1-ol (CID 70490928) is 2-[(1S)-1-hydroxy-5-methylhexyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(1S)-1-hydroxy-5-methylhexyl]naphthalen-1-ol?
The canonical SMILES for 2-[(1S)-1-hydroxy-5-methylhexyl]naphthalen-1-ol is CC(C)CCC[C@H](O)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[(1S)-1-hydroxy-5-methylhexyl]naphthalen-1-ol?
The InChIKey is ZDGUJEHITFIFRW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22O2/c1-12(2)6-5-9-16(18)15-11-10-13-7-3-4-8-14(13)17(15)19/h3-4,7-8,10-12,16,18-19H,5-6,9H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-[(1S)-1-hydroxy-5-methylhexyl]naphthalen-1-ol?
2-[(1S)-1-hydroxy-5-methylhexyl]naphthalen-1-ol has a molecular weight of 258.36 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-hydroxy-5-methylhexyl]naphthalen-1-ol is sourced from PubChem (CID 70490928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).