7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol

C16H24O2 — CID 115510904

IUPAC7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CC(O)(CCC(C)C)CC2
InChIInChI=1S/C16H24O2/c1-12(2)6-8-16(17)9-7-13-4-5-15(18-3)10-14(13)11-16/h4-5,10,12,17H,6-9,11H2,1-3H3
InChIKeyVOEZIODAAVQDJY-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.35
Rot. Bonds4

About 7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol

7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 115510904) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID115510904
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CC(O)(CCC(C)C)CC2
InChIInChI=1S/C16H24O2/c1-12(2)6-8-16(17)9-7-13-4-5-15(18-3)10-14(13)11-16/h4-5,10,12,17H,6-9,11H2,1-3H3
InChIKeyVOEZIODAAVQDJY-UHFFFAOYSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-2-pent-4-ynyl-3,4-dihydro-1H-naphthalen-2-ol
CID 113374244
7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115511135
2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile
CID 115511264
2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 105461731
2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115511060
7-methoxy-2-[(2-methoxyethylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 115511140
6-methoxy-1-(3-methylbutyl)-2,3-dihydroinden-1-amine
CID 79374362
2-[(5-chlorothiophen-2-yl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115510908
7-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 115511023
2-[(2-amino-3-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115510921
2-[(3-chloro-4-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115510925
2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)pentanenitrile
CID 115511263

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol (CID 115510904) is 7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol is COc1ccc2c(c1)CC(O)(CCC(C)C)CC2.
What is the InChIKey of 7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is VOEZIODAAVQDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-12(2)6-8-16(17)9-7-13-4-5-15(18-3)10-14(13)11-16/h4-5,10,12,17H,6-9,11H2,1-3H3.
What are the key properties of 7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol?
7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 248.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 115510904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).