1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol

C14H16O4 — CID 170818647

IUPAC1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol
SMILESCOc1ccc(C(O)C(O)CO)c2ccccc12
InChIInChI=1S/C14H16O4/c1-18-13-7-6-11(14(17)12(16)8-15)9-4-2-3-5-10(9)13/h2-7,12,14-17H,8H2,1H3
InChIKeyCMBTVWISERJBRO-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.24
Rot. Bonds4

About 1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol

1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol (PubChem CID 170818647) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol
PubChem CID170818647
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol
SMILESCOc1ccc(C(O)C(O)CO)c2ccccc12
InChIInChI=1S/C14H16O4/c1-18-13-7-6-11(14(17)12(16)8-15)9-4-2-3-5-10(9)13/h2-7,12,14-17H,8H2,1H3
InChIKeyCMBTVWISERJBRO-UHFFFAOYSA-N
XLogP1.24
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydroxy-4-(4-methoxynaphthalen-1-yl)butanenitrile
CID 171901774
N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide
CID 170830867
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol
CID 61101734
benzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate
CID 171856731
cyclopropyl-(4-methoxynaphthalen-1-yl)methanol
CID 61100695
1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol
CID 170819054
2-bromo-2,2-difluoro-1-(4-methoxynaphthalen-1-yl)ethanol
CID 107140252
1-(4-methoxynaphthalen-1-yl)octan-1-ol
CID 63426458
2,4-bis(4-methoxynaphthalen-1-yl)pentan-3-one
CID 151420468
2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde
CID 170818456
1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene
CID 2202790

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol?
The IUPAC name of 1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol (CID 170818647) is 1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol.
What is the SMILES notation for 1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol?
The canonical SMILES for 1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol is COc1ccc(C(O)C(O)CO)c2ccccc12.
What is the InChIKey of 1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol?
The InChIKey is CMBTVWISERJBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-18-13-7-6-11(14(17)12(16)8-15)9-4-2-3-5-10(9)13/h2-7,12,14-17H,8H2,1H3.
What are the key properties of 1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol?
1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol has a molecular weight of 248.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxynaphthalen-1-yl)propane-1,2,3-triol is sourced from PubChem (CID 170818647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).