3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol

C15H18O4 — CID 10445415

IUPAC3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol
SMILESCOc1cc(OC)c2c(O)cc(C[C@@H](C)O)cc2c1
InChIInChI=1S/C15H18O4/c1-9(16)4-10-5-11-7-12(18-2)8-14(19-3)15(11)13(17)6-10/h5-9,16-17H,4H2,1-3H3/t9-/m1/s1
InChIKeyJSEUZEQTUXBQCS-SECBINFHSA-N
MW262.31 g/mol
LogP2.49
Rot. Bonds4

About 3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol

3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol (PubChem CID 10445415) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol.

Molecular Properties

Compound Name3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol
PubChem CID10445415
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol
SMILESCOc1cc(OC)c2c(O)cc(C[C@@H](C)O)cc2c1
InChIInChI=1S/C15H18O4/c1-9(16)4-10-5-11-7-12(18-2)8-14(19-3)15(11)13(17)6-10/h5-9,16-17H,4H2,1-3H3/t9-/m1/s1
InChIKeyJSEUZEQTUXBQCS-SECBINFHSA-N
XLogP2.49
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid
CID 73013811
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
5-(2-hydroxypropyl)benzene-1,2,3-triol
CID 141358903
ethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate
CID 618553
1-(1,3,6-trimethoxynaphthalen-2-yl)propan-2-ol
CID 70555002
methyl 1-deuterio-4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylate
CID 10467917
1,3,8-trimethoxy-6-methylanthracen-9-ol
CID 11033842
5-fluoro-2-(2-hydroxypropyl)-4-methoxyphenol
CID 117289277
5-(2-hydroxypropyl)-2,4-dimethoxyphenol
CID 117303005
3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid
CID 621352
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 117325737
1-(3-chloro-4-fluoro-5-methoxyphenyl)propan-2-ol
CID 117311647

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol?
The IUPAC name of 3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol (CID 10445415) is 3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol.
What is the SMILES notation for 3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol?
The canonical SMILES for 3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol is COc1cc(OC)c2c(O)cc(C[C@@H](C)O)cc2c1.
What is the InChIKey of 3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol?
The InChIKey is JSEUZEQTUXBQCS-SECBINFHSA-N. The full InChI is InChI=1S/C15H18O4/c1-9(16)4-10-5-11-7-12(18-2)8-14(19-3)15(11)13(17)6-10/h5-9,16-17H,4H2,1-3H3/t9-/m1/s1.
What are the key properties of 3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol?
3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol has a molecular weight of 262.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol is sourced from PubChem (CID 10445415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).