1-(2,2-dimethylpentyl)-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol

C19H30O — CID 143281176

IUPAC1-(2,2-dimethylpentyl)-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol
SMILESCCCC(C)(C)CC1c2ccccc2CCC1(O)CC
InChIInChI=1S/C19H30O/c1-5-12-18(3,4)14-17-16-10-8-7-9-15(16)11-13-19(17,20)6-2/h7-10,17,20H,5-6,11-14H2,1-4H3
InChIKeyZGGGSJXCCUSPIF-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.07
Rot. Bonds5

About 1-(2,2-dimethylpentyl)-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol

1-(2,2-dimethylpentyl)-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 143281176) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(2,2-dimethylpentyl)-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name1-(2,2-dimethylpentyl)-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID143281176
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name1-(2,2-dimethylpentyl)-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol
SMILESCCCC(C)(C)CC1c2ccccc2CCC1(O)CC
InChIInChI=1S/C19H30O/c1-5-12-18(3,4)14-17-16-10-8-7-9-15(16)11-13-19(17,20)6-2/h7-10,17,20H,5-6,11-14H2,1-4H3
InChIKeyZGGGSJXCCUSPIF-UHFFFAOYSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R)-2-ethyl-3,4-dihydro-1H-naphthalene-1,2-diol
CID 22216149
3,3-dimethyl-N-propyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine
CID 81022863
2-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-2-methylpentanamide;hydrochloride
CID 119783207
2-(aminomethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentanoic acid
CID 106488040
3-[2-(bromomethyl)-2-methylpentyl]-2,3-dihydro-1-benzothiophene
CID 79226401
2,3-dihydro-1H-inden-1-amine;2,2-dimethylhexan-3-imine
CID 91239309
1-ethyl-2,3-dihydro-1H-indene
CID 20971
N-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-ylmethanamine
CID 83908422
2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
CID 83051375
N-(2-hydroxy-2-methylpentyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 113246017
(2R,3R)-3-amino-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol
CID 89278768
5-ethyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 66614248

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpentyl)-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 1-(2,2-dimethylpentyl)-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol (CID 143281176) is 1-(2,2-dimethylpentyl)-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 1-(2,2-dimethylpentyl)-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 1-(2,2-dimethylpentyl)-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol is CCCC(C)(C)CC1c2ccccc2CCC1(O)CC.
What is the InChIKey of 1-(2,2-dimethylpentyl)-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is ZGGGSJXCCUSPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-5-12-18(3,4)14-17-16-10-8-7-9-15(16)11-13-19(17,20)6-2/h7-10,17,20H,5-6,11-14H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpentyl)-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol?
1-(2,2-dimethylpentyl)-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 274.45 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpentyl)-2-ethyl-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 143281176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).