2-[3-[(5-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol

C28H26O3 — CID 19027138

IUPAC2-[3-[(5-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol
SMILESOC1CCOC(c2cccc(COc3ccc4c(-c5ccccc5)cccc4c3)c2)C1
InChIInChI=1S/C28H26O3/c29-24-14-15-30-28(18-24)23-10-4-6-20(16-23)19-31-25-12-13-27-22(17-25)9-5-11-26(27)21-7-2-1-3-8-21/h1-13,16-17,24,28-29H,14-15,18-19H2
InChIKeyIQKWRXKSJPKOGQ-UHFFFAOYSA-N
MW410.51 g/mol
LogP6.30
Rot. Bonds5

About 2-[3-[(5-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol

2-[3-[(5-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol (PubChem CID 19027138) has the molecular formula C28H26O3 and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-[3-[(5-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol.

Molecular Properties

Compound Name2-[3-[(5-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol
PubChem CID19027138
Molecular FormulaC28H26O3
Molecular Weight410.51 g/mol
Exact Mass410.19
IUPAC Name2-[3-[(5-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol
SMILESOC1CCOC(c2cccc(COc3ccc4c(-c5ccccc5)cccc4c3)c2)C1
InChIInChI=1S/C28H26O3/c29-24-14-15-30-28(18-24)23-10-4-6-20(16-23)19-31-25-12-13-27-22(17-25)9-5-11-26(27)21-7-2-1-3-8-21/h1-13,16-17,24,28-29H,14-15,18-19H2
InChIKeyIQKWRXKSJPKOGQ-UHFFFAOYSA-N
XLogP6.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[7-(chloromethyl)-5-phenylnaphthalen-2-yl]oxymethyl]phenyl]oxan-4-ol
CID 67821951
4-(4-chlorophenyl)-3-(hydroxymethyl)-7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]naphthalene-2-carboxylic acid
CID 19103246
4-(furan-2-yl)-3-(hydroxymethyl)-7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]naphthalene-2-carboxylic acid
CID 19930231
methyl 7-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]-4-(2-methyltetrazol-5-yl)naphthalene-2-carboxylate
CID 19027192
(2S,4S)-2-phenyloxan-4-ol
CID 67658519
2-phenyl-5-phenylmethoxyphenol
CID 123808909
4-[3-[(6-ethyl-8-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol
CID 10527001
(1S,9S)-5,13-bis(phenylmethoxy)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 101036078
3-[5-(6-phenylmethoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propan-1-amine
CID 57177491
(3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 132544352
4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
2-(3-phenylmethoxyphenyl)-4-propylmorpholine
CID 15006489

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol?
The IUPAC name of 2-[3-[(5-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol (CID 19027138) is 2-[3-[(5-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol.
What is the SMILES notation for 2-[3-[(5-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol?
The canonical SMILES for 2-[3-[(5-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol is OC1CCOC(c2cccc(COc3ccc4c(-c5ccccc5)cccc4c3)c2)C1.
What is the InChIKey of 2-[3-[(5-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol?
The InChIKey is IQKWRXKSJPKOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O3/c29-24-14-15-30-28(18-24)23-10-4-6-20(16-23)19-31-25-12-13-27-22(17-25)9-5-11-26(27)21-7-2-1-3-8-21/h1-13,16-17,24,28-29H,14-15,18-19H2.
What are the key properties of 2-[3-[(5-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol?
2-[3-[(5-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol has a molecular weight of 410.51 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol is sourced from PubChem (CID 19027138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).