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

C16H22O3 — CID 115511003

IUPAC7-methoxy-2-(oxan-4-yl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CC(O)(C1CCOCC1)CC2
InChIInChI=1S/C16H22O3/c1-18-15-3-2-12-4-7-16(17,11-13(12)10-15)14-5-8-19-9-6-14/h2-3,10,14,17H,4-9,11H2,1H3
InChIKeyCKGBPJIXPLPRMZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.34
Rot. Bonds2

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

7-methoxy-2-(oxan-4-yl)-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 115511003) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 7-methoxy-2-(oxan-4-yl)-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name7-methoxy-2-(oxan-4-yl)-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID115511003
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name7-methoxy-2-(oxan-4-yl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CC(O)(C1CCOCC1)CC2
InChIInChI=1S/C16H22O3/c1-18-15-3-2-12-4-7-16(17,11-13(12)10-15)14-5-8-19-9-6-14/h2-3,10,14,17H,4-9,11H2,1H3
InChIKeyCKGBPJIXPLPRMZ-UHFFFAOYSA-N
XLogP2.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 84719792
1-cyclopentyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374780
(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(oxolan-3-yl)methanone
CID 135104833
2-cyclopropyl-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol
CID 19261422
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
6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine]
CID 84620045
7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115510904
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
2-[(5-chlorothiophen-2-yl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115510908
cyclopentyl-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135117415
2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115511060

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(oxan-4-yl)-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 7-methoxy-2-(oxan-4-yl)-3,4-dihydro-1H-naphthalen-2-ol (CID 115511003) is 7-methoxy-2-(oxan-4-yl)-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 7-methoxy-2-(oxan-4-yl)-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 7-methoxy-2-(oxan-4-yl)-3,4-dihydro-1H-naphthalen-2-ol is COc1ccc2c(c1)CC(O)(C1CCOCC1)CC2.
What is the InChIKey of 7-methoxy-2-(oxan-4-yl)-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is CKGBPJIXPLPRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-18-15-3-2-12-4-7-16(17,11-13(12)10-15)14-5-8-19-9-6-14/h2-3,10,14,17H,4-9,11H2,1H3.
What are the key properties of 7-methoxy-2-(oxan-4-yl)-3,4-dihydro-1H-naphthalen-2-ol?
7-methoxy-2-(oxan-4-yl)-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 262.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(oxan-4-yl)-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 115511003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).