4-[3-[(6-ethyl-8-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol

C30H30O3 — CID 10527001

IUPAC4-[3-[(6-ethyl-8-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol
SMILESCCc1cc(-c2ccccc2)c2cc(OCc3cccc(C4(O)CCOCC4)c3)ccc2c1
InChIInChI=1S/C30H30O3/c1-2-22-17-25-11-12-27(20-29(25)28(19-22)24-8-4-3-5-9-24)33-21-23-7-6-10-26(18-23)30(31)13-15-32-16-14-30/h3-12,17-20,31H,2,13-16,21H2,1H3
InChIKeyCOZPGNQNRQSCNT-UHFFFAOYSA-N
MW438.57 g/mol
LogP6.65
Rot. Bonds6

About 4-[3-[(6-ethyl-8-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol

4-[3-[(6-ethyl-8-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol (PubChem CID 10527001) has the molecular formula C30H30O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 4-[3-[(6-ethyl-8-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol.

Molecular Properties

Compound Name4-[3-[(6-ethyl-8-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol
PubChem CID10527001
Molecular FormulaC30H30O3
Molecular Weight438.57 g/mol
Exact Mass438.22
IUPAC Name4-[3-[(6-ethyl-8-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol
SMILESCCc1cc(-c2ccccc2)c2cc(OCc3cccc(C4(O)CCOCC4)c3)ccc2c1
InChIInChI=1S/C30H30O3/c1-2-22-17-25-11-12-27(20-29(25)28(19-22)24-8-4-3-5-9-24)33-21-23-7-6-10-26(18-23)30(31)13-15-32-16-14-30/h3-12,17-20,31H,2,13-16,21H2,1H3
InChIKeyCOZPGNQNRQSCNT-UHFFFAOYSA-N
XLogP6.65
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[[6-(1-methyltetrazol-5-yl)-8-phenylnaphthalen-2-yl]oxymethyl]phenyl]oxan-4-ol
CID 10672772
6-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]-4-(4-methoxyphenyl)-3H-benzo[f][2]benzofuran-1-one
CID 11799435
4-(furan-3-yl)-7-[[3-(4-hydroxyoxan-4-yl)phenyl]methoxy]naphthalene-2-carbonitrile
CID 42609834
4-methoxy-4-[3-(naphthalen-2-yloxymethyl)phenyl]oxane
CID 10427847
6-[[3-[(1S,5R)-3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl]phenyl]methoxy]-4-phenyl-3H-benzo[f][2]benzofuran-1-one
CID 10791232
8-[3-(naphthalen-2-ylmethoxy)phenyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 14985908
(2R,4R)-2-ethyl-4-[3-(naphthalen-2-ylmethoxy)phenyl]oxan-4-ol
CID 67797905
4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane
CID 14985899
1-(4-phenylmethoxyphenyl)cyclopropan-1-ol
CID 130577384
[3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol
CID 122435033
6-[[3-(4-ethyloxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one
CID 10022483
4-(4-ethylphenyl)oxan-4-ol
CID 63222829

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(6-ethyl-8-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol?
The IUPAC name of 4-[3-[(6-ethyl-8-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol (CID 10527001) is 4-[3-[(6-ethyl-8-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol.
What is the SMILES notation for 4-[3-[(6-ethyl-8-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol?
The canonical SMILES for 4-[3-[(6-ethyl-8-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol is CCc1cc(-c2ccccc2)c2cc(OCc3cccc(C4(O)CCOCC4)c3)ccc2c1.
What is the InChIKey of 4-[3-[(6-ethyl-8-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol?
The InChIKey is COZPGNQNRQSCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O3/c1-2-22-17-25-11-12-27(20-29(25)28(19-22)24-8-4-3-5-9-24)33-21-23-7-6-10-26(18-23)30(31)13-15-32-16-14-30/h3-12,17-20,31H,2,13-16,21H2,1H3.
What are the key properties of 4-[3-[(6-ethyl-8-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol?
4-[3-[(6-ethyl-8-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol has a molecular weight of 438.57 g/mol, XLogP of 6.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(6-ethyl-8-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol is sourced from PubChem (CID 10527001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).