[4-(hydroxymethyl)-2-naphthalen-2-yl-1,3-dioxan-5-yl]methanol

C16H18O4 — CID 152518072

IUPAC[4-(hydroxymethyl)-2-naphthalen-2-yl-1,3-dioxan-5-yl]methanol
SMILESOCC1COC(c2ccc3ccccc3c2)OC1CO
InChIInChI=1S/C16H18O4/c17-8-14-10-19-16(20-15(14)9-18)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,14-18H,8-10H2
InChIKeyYGYCEZXOFXVGIC-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.85
Rot. Bonds3

About [4-(hydroxymethyl)-2-naphthalen-2-yl-1,3-dioxan-5-yl]methanol

[4-(hydroxymethyl)-2-naphthalen-2-yl-1,3-dioxan-5-yl]methanol (PubChem CID 152518072) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2-naphthalen-2-yl-1,3-dioxan-5-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-2-naphthalen-2-yl-1,3-dioxan-5-yl]methanol
PubChem CID152518072
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name[4-(hydroxymethyl)-2-naphthalen-2-yl-1,3-dioxan-5-yl]methanol
SMILESOCC1COC(c2ccc3ccccc3c2)OC1CO
InChIInChI=1S/C16H18O4/c17-8-14-10-19-16(20-15(14)9-18)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,14-18H,8-10H2
InChIKeyYGYCEZXOFXVGIC-UHFFFAOYSA-N
XLogP1.85
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenyl-5-prop-2-enyl-1,3-dioxan-4-yl)methanol
CID 571097
[(4S,5S)-2-(4-methoxyphenyl)-5-(phenylmethoxymethyl)-1,3-dioxan-4-yl]methanol
CID 11221635
(2R,5S)-2-(hydroxymethyl)-5-(6-naphthalen-2-ylnaphthalen-2-yl)oxolan-3-ol
CID 71067480
(2R)-2-naphthalen-2-yloxirane
CID 10877557
(4S)-4-(naphthalen-2-ylmethoxymethyl)-2-phenyl-1,3-dioxan-5-ol
CID 71170081
(4aR,6R,7R,8R,8aS)-6-methoxy-2-naphthalen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 101384545
[(2R,3R,4S,5R,6R)-6-[[(2R,4aR,6R,7R,8S,8aR)-7,8-bis[(4-methoxyphenyl)methoxy]-2-naphthalen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-4,5-bis[(4-methoxyphenyl)methoxy]-3-(naphthalen-2-ylmethoxy)oxan-2-yl]methanol
CID 72696050
[(2R,4R,4aS,6R,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol
CID 129412483
(2R)-2-anthracen-2-yloxirane
CID 129361736
[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 10726056
[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 719727
methyl (Z)-6-[(2S,4S,5R)-2-naphthalen-2-yl-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoate
CID 10454651

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-2-naphthalen-2-yl-1,3-dioxan-5-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-2-naphthalen-2-yl-1,3-dioxan-5-yl]methanol (CID 152518072) is [4-(hydroxymethyl)-2-naphthalen-2-yl-1,3-dioxan-5-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-2-naphthalen-2-yl-1,3-dioxan-5-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-2-naphthalen-2-yl-1,3-dioxan-5-yl]methanol is OCC1COC(c2ccc3ccccc3c2)OC1CO.
What is the InChIKey of [4-(hydroxymethyl)-2-naphthalen-2-yl-1,3-dioxan-5-yl]methanol?
The InChIKey is YGYCEZXOFXVGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c17-8-14-10-19-16(20-15(14)9-18)13-6-5-11-3-1-2-4-12(11)7-13/h1-7,14-18H,8-10H2.
What are the key properties of [4-(hydroxymethyl)-2-naphthalen-2-yl-1,3-dioxan-5-yl]methanol?
[4-(hydroxymethyl)-2-naphthalen-2-yl-1,3-dioxan-5-yl]methanol has a molecular weight of 274.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-2-naphthalen-2-yl-1,3-dioxan-5-yl]methanol is sourced from PubChem (CID 152518072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).