[1,4-di(propan-2-yloxy)naphthalen-2-yl]methanol

C17H22O3 — CID 169273803

IUPAC[1,4-di(propan-2-yloxy)naphthalen-2-yl]methanol
SMILESCC(C)Oc1cc(CO)c(OC(C)C)c2ccccc12
InChIInChI=1S/C17H22O3/c1-11(2)19-16-9-13(10-18)17(20-12(3)4)15-8-6-5-7-14(15)16/h5-9,11-12,18H,10H2,1-4H3
InChIKeyWXWCQJLXWOENJI-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.91
Rot. Bonds5

About [1,4-di(propan-2-yloxy)naphthalen-2-yl]methanol

[1,4-di(propan-2-yloxy)naphthalen-2-yl]methanol (PubChem CID 169273803) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is [1,4-di(propan-2-yloxy)naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[1,4-di(propan-2-yloxy)naphthalen-2-yl]methanol
PubChem CID169273803
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name[1,4-di(propan-2-yloxy)naphthalen-2-yl]methanol
SMILESCC(C)Oc1cc(CO)c(OC(C)C)c2ccccc12
InChIInChI=1S/C17H22O3/c1-11(2)19-16-9-13(10-18)17(20-12(3)4)15-8-6-5-7-14(15)16/h5-9,11-12,18H,10H2,1-4H3
InChIKeyWXWCQJLXWOENJI-UHFFFAOYSA-N
XLogP3.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1,4-di(propan-2-yloxy)naphthalen-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-1-[1,4-di(propan-2-yloxy)naphthalen-2-yl]ethanone
CID 156502627
1,4,9,10-tetra(propan-2-yloxy)anthracene
CID 139930355
1,2,9,10-tetra(propan-2-yloxy)anthracene
CID 139929958
[2,4-di(propan-2-yloxy)phenyl]methanol
CID 12071268
N-methyl-4-propan-2-yloxynaphthalen-1-amine
CID 82263217
methyl 2-(4-propan-2-yloxynaphthalen-1-yl)acetate
CID 82550297
1-bromo-4-propan-2-yloxynaphthalene
CID 15341859
(3,5-dichloro-2-propan-2-yloxyphenyl)methanol
CID 43516223
N-methyl-2-(4-propan-2-yloxynaphthalen-1-yl)ethanamine
CID 82550302
(4-methoxy-2-propan-2-yloxyphenyl)methanol
CID 61267391
(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol
CID 21200446
2-propan-2-yloxynaphthalen-1-ol
CID 23272530

Frequently Asked Questions

What is the IUPAC name of [1,4-di(propan-2-yloxy)naphthalen-2-yl]methanol?
The IUPAC name of [1,4-di(propan-2-yloxy)naphthalen-2-yl]methanol (CID 169273803) is [1,4-di(propan-2-yloxy)naphthalen-2-yl]methanol.
What is the SMILES notation for [1,4-di(propan-2-yloxy)naphthalen-2-yl]methanol?
The canonical SMILES for [1,4-di(propan-2-yloxy)naphthalen-2-yl]methanol is CC(C)Oc1cc(CO)c(OC(C)C)c2ccccc12.
What is the InChIKey of [1,4-di(propan-2-yloxy)naphthalen-2-yl]methanol?
The InChIKey is WXWCQJLXWOENJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-11(2)19-16-9-13(10-18)17(20-12(3)4)15-8-6-5-7-14(15)16/h5-9,11-12,18H,10H2,1-4H3.
What are the key properties of [1,4-di(propan-2-yloxy)naphthalen-2-yl]methanol?
[1,4-di(propan-2-yloxy)naphthalen-2-yl]methanol has a molecular weight of 274.36 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-di(propan-2-yloxy)naphthalen-2-yl]methanol is sourced from PubChem (CID 169273803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).