1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol

C15H22O2 — CID 102290359

IUPAC1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
SMILESCCCCC1(O)CCCc2ccc(OC)cc21
InChIInChI=1S/C15H22O2/c1-3-4-9-15(16)10-5-6-12-7-8-13(17-2)11-14(12)15/h7-8,11,16H,3-6,9-10H2,1-2H3
InChIKeyBUHANBRQEDQXGQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.41
Rot. Bonds4

About 1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol

1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 102290359) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID102290359
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
SMILESCCCCC1(O)CCCc2ccc(OC)cc21
InChIInChI=1S/C15H22O2/c1-3-4-9-15(16)10-5-6-12-7-8-13(17-2)11-14(12)15/h7-8,11,16H,3-6,9-10H2,1-2H3
InChIKeyBUHANBRQEDQXGQ-UHFFFAOYSA-N
XLogP3.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-hexyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79375059
2-(1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetonitrile
CID 11769906
6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol
CID 113374241
1-(2-ethylhexyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 79374993
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236
2-[(1R)-7-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 11775651
6-methoxy-1-(2-phenylethyl)-2,3-dihydroinden-1-ol
CID 79374356
6-methoxy-1-(propylaminomethyl)-2,3-dihydroinden-1-ol
CID 79368954
6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol
CID 79368955
1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248291
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760
1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol
CID 79371784

Frequently Asked Questions

What is the IUPAC name of 1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol (CID 102290359) is 1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol is CCCCC1(O)CCCc2ccc(OC)cc21.
What is the InChIKey of 1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is BUHANBRQEDQXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-4-9-15(16)10-5-6-12-7-8-13(17-2)11-14(12)15/h7-8,11,16H,3-6,9-10H2,1-2H3.
What are the key properties of 1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol?
1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 102290359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).