(1R,2S)-2-butyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol

C16H22O — CID 134945146

IUPAC(1R,2S)-2-butyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol
SMILESCCCC[C@H]1C=Cc2c(C)ccc(C)c2[C@@H]1O
InChIInChI=1S/C16H22O/c1-4-5-6-13-9-10-14-11(2)7-8-12(3)15(14)16(13)17/h7-10,13,16-17H,4-6H2,1-3H3/t13-,16+/m0/s1
InChIKeyZYCXLQDRDSFYFK-XJKSGUPXSA-N
MW230.35 g/mol
LogP4.17
Rot. Bonds3

About (1R,2S)-2-butyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol

(1R,2S)-2-butyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol (PubChem CID 134945146) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (1R,2S)-2-butyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-butyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol
PubChem CID134945146
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(1R,2S)-2-butyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol
SMILESCCCC[C@H]1C=Cc2c(C)ccc(C)c2[C@@H]1O
InChIInChI=1S/C16H22O/c1-4-5-6-13-9-10-14-11(2)7-8-12(3)15(14)16(13)17/h7-10,13,16-17H,4-6H2,1-3H3/t13-,16+/m0/s1
InChIKeyZYCXLQDRDSFYFK-XJKSGUPXSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S)-2-benzyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol
CID 135026635
(1R)-1-[2-[(1R)-4,7-dimethyl-1H-inden-1-yl]ethyl]-4,7-dimethyl-1H-indene
CID 100983352
5,7-dimethyl-3-(octylamino)-3H-inden-4-ol;hydrochloride
CID 67882682
8-butyl-3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
CID 139973394
1-(cyclopenta-2,4-dien-1-ylmethyl)-4-methyl-7-pentyl-1H-indene;zirconium(2+);dichloride
CID 162260623
4,7-dimethyl-1-phenyl-1H-indene
CID 86724422
3,4,5,6-tetrabutylcyclohexene
CID 21497713
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
5-butyl-2-methylcyclohexa-1,3-diene
CID 12596747
(1R,2R)-2-butylcyclohex-3-en-1-ol
CID 11205888
(1S)-4-[2-[(1R)-1,7-dimethyl-1H-inden-4-yl]ethyl]-1,7-dimethyl-1H-indene
CID 18720350
(1aR,3R,4R,7aS)-4-butyl-3-hydroxy-7a-prop-2-enyl-3,4-dihydro-1aH-naphtho[2,3-b]oxirene-2,7-dione
CID 6917339

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-butyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1R,2S)-2-butyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol (CID 134945146) is (1R,2S)-2-butyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1R,2S)-2-butyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1R,2S)-2-butyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol is CCCC[C@H]1C=Cc2c(C)ccc(C)c2[C@@H]1O.
What is the InChIKey of (1R,2S)-2-butyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol?
The InChIKey is ZYCXLQDRDSFYFK-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H22O/c1-4-5-6-13-9-10-14-11(2)7-8-12(3)15(14)16(13)17/h7-10,13,16-17H,4-6H2,1-3H3/t13-,16+/m0/s1.
What are the key properties of (1R,2S)-2-butyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol?
(1R,2S)-2-butyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol has a molecular weight of 230.35 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-butyl-5,8-dimethyl-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 134945146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).