1-[1-(4-methoxyphenyl)oct-2-ynyl]naphthalen-2-ol

C25H26O2 — CID 101438208

IUPAC1-[1-(4-methoxyphenyl)oct-2-ynyl]naphthalen-2-ol
SMILESCCCCCC#CC(c1ccc(OC)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C25H26O2/c1-3-4-5-6-7-11-23(20-13-16-21(27-2)17-14-20)25-22-12-9-8-10-19(22)15-18-24(25)26/h8-10,12-18,23,26H,3-6H2,1-2H3
InChIKeyPOBCUOGLHDXBOC-UHFFFAOYSA-N
MW358.48 g/mol
LogP6.27
Rot. Bonds6

About 1-[1-(4-methoxyphenyl)oct-2-ynyl]naphthalen-2-ol

1-[1-(4-methoxyphenyl)oct-2-ynyl]naphthalen-2-ol (PubChem CID 101438208) has the molecular formula C25H26O2 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)oct-2-ynyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)oct-2-ynyl]naphthalen-2-ol
PubChem CID101438208
Molecular FormulaC25H26O2
Molecular Weight358.48 g/mol
Exact Mass358.19
IUPAC Name1-[1-(4-methoxyphenyl)oct-2-ynyl]naphthalen-2-ol
SMILESCCCCCC#CC(c1ccc(OC)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C25H26O2/c1-3-4-5-6-7-11-23(20-13-16-21(27-2)17-14-20)25-22-12-9-8-10-19(22)15-18-24(25)26/h8-10,12-18,23,26H,3-6H2,1-2H3
InChIKeyPOBCUOGLHDXBOC-UHFFFAOYSA-N
XLogP6.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-methoxyphenyl)ethyl]naphthalen-2-ol
CID 101441341
2-[1-(4-methoxyphenyl)hept-2-ynyl]furan
CID 102450474
(1S)-1-(4-methoxyphenyl)hept-2-yn-1-ol
CID 101224445
methyl 2-(2-hydroxynaphthalen-1-yl)-2-(4-methoxyphenyl)acetate
CID 155933400
4-methoxy-N-[(1R)-1-phenylundec-2-ynyl]aniline
CID 122206072
N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 877378
1-(1-phenyloct-1-yn-3-yl)naphthalen-2-ol
CID 53243276
N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide
CID 102482362
7-methoxy-1-[naphthalen-1-yl(piperidin-1-yl)methyl]naphthalen-2-ol
CID 127028202
6-methoxy-1-[1-(6-methoxynaphthalen-2-yl)ethyl]naphthalen-2-ol
CID 71406120
N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide
CID 2278763
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)oct-2-ynyl]naphthalen-2-ol?
The IUPAC name of 1-[1-(4-methoxyphenyl)oct-2-ynyl]naphthalen-2-ol (CID 101438208) is 1-[1-(4-methoxyphenyl)oct-2-ynyl]naphthalen-2-ol.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)oct-2-ynyl]naphthalen-2-ol?
The canonical SMILES for 1-[1-(4-methoxyphenyl)oct-2-ynyl]naphthalen-2-ol is CCCCCC#CC(c1ccc(OC)cc1)c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[1-(4-methoxyphenyl)oct-2-ynyl]naphthalen-2-ol?
The InChIKey is POBCUOGLHDXBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O2/c1-3-4-5-6-7-11-23(20-13-16-21(27-2)17-14-20)25-22-12-9-8-10-19(22)15-18-24(25)26/h8-10,12-18,23,26H,3-6H2,1-2H3.
What are the key properties of 1-[1-(4-methoxyphenyl)oct-2-ynyl]naphthalen-2-ol?
1-[1-(4-methoxyphenyl)oct-2-ynyl]naphthalen-2-ol has a molecular weight of 358.48 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)oct-2-ynyl]naphthalen-2-ol is sourced from PubChem (CID 101438208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).