(1R,2R)-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol

C16H20O — CID 135042967

IUPAC(1R,2R)-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol
SMILESCC(C)(C)/C=C/[C@@H]1C=Cc2ccccc2[C@@H]1O
InChIInChI=1S/C16H20O/c1-16(2,3)11-10-13-9-8-12-6-4-5-7-14(12)15(13)17/h4-11,13,15,17H,1-3H3/b11-10+/t13-,15+/m0/s1
InChIKeyDFWWPLPPWJXAGR-VLMQMFMZSA-N
MW228.33 g/mol
LogP3.97
Rot. Bonds1

About (1R,2R)-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol

(1R,2R)-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol (PubChem CID 135042967) has the molecular formula C16H20O and a molecular weight of 228.33 g/mol. Its IUPAC name is (1R,2R)-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol
PubChem CID135042967
Molecular FormulaC16H20O
Molecular Weight228.33 g/mol
Exact Mass228.15
IUPAC Name(1R,2R)-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol
SMILESCC(C)(C)/C=C/[C@@H]1C=Cc2ccccc2[C@@H]1O
InChIInChI=1S/C16H20O/c1-16(2,3)11-10-13-9-8-12-6-4-5-7-14(12)15(13)17/h4-11,13,15,17H,1-3H3/b11-10+/t13-,15+/m0/s1
InChIKeyDFWWPLPPWJXAGR-VLMQMFMZSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2S)-2-[(E)-dec-1-enyl]-1,2-dihydronaphthalen-1-ol
CID 11231456
(1R,2S)-2-methyl-1,2-dihydronaphthalen-1-ol
CID 13056069
(1R,2R)-2-methyl-1,2-dihydronaphthalen-1-ol
CID 11252162
1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
CID 71289286
(1R,2R)-2-amino-1,2-dihydronaphthalen-1-ol;hydrochloride
CID 71310849
(1R,2R)-2-prop-2-enoxy-1,2-dihydronaphthalen-1-ol
CID 11195024
hydron;1H-inden-1-ol
CID 174812636
(1R,2S)-2-(4-hydroxyphenyl)-1,2-dihydronaphthalen-1-ol
CID 131848736
1-(2-fluoropropan-2-yl)-1H-indene
CID 139709792
1H-inden-1-amine
CID 14298803
2-(4-chlorophenyl)-1,2-dihydronaphthalen-1-ol
CID 174973723
(1S,2S)-2-(3-methylphenyl)-1,2-dihydronaphthalen-1-ol
CID 132579451

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1R,2R)-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol (CID 135042967) is (1R,2R)-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1R,2R)-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1R,2R)-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol is CC(C)(C)/C=C/[C@@H]1C=Cc2ccccc2[C@@H]1O.
What is the InChIKey of (1R,2R)-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol?
The InChIKey is DFWWPLPPWJXAGR-VLMQMFMZSA-N. The full InChI is InChI=1S/C16H20O/c1-16(2,3)11-10-13-9-8-12-6-4-5-7-14(12)15(13)17/h4-11,13,15,17H,1-3H3/b11-10+/t13-,15+/m0/s1.
What are the key properties of (1R,2R)-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol?
(1R,2R)-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol has a molecular weight of 228.33 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 135042967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).