(E)-1-[3,4-bis(phenylmethoxy)phenyl]non-1-en-3-ol

C29H34O3 — CID 13392879

IUPAC(E)-1-[3,4-bis(phenylmethoxy)phenyl]non-1-en-3-ol
SMILESCCCCCCC(O)/C=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C29H34O3/c1-2-3-4-11-16-27(30)19-17-24-18-20-28(31-22-25-12-7-5-8-13-25)29(21-24)32-23-26-14-9-6-10-15-26/h5-10,12-15,17-21,27,30H,2-4,11,16,22-23H2,1H3/b19-17+
InChIKeyKPJRAGCPLVEAKB-HTXNQAPBSA-N
MW430.59 g/mol
LogP7.19
Rot. Bonds13

About (E)-1-[3,4-bis(phenylmethoxy)phenyl]non-1-en-3-ol

(E)-1-[3,4-bis(phenylmethoxy)phenyl]non-1-en-3-ol (PubChem CID 13392879) has the molecular formula C29H34O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is (E)-1-[3,4-bis(phenylmethoxy)phenyl]non-1-en-3-ol.

Molecular Properties

Compound Name(E)-1-[3,4-bis(phenylmethoxy)phenyl]non-1-en-3-ol
PubChem CID13392879
Molecular FormulaC29H34O3
Molecular Weight430.59 g/mol
Exact Mass430.25
IUPAC Name(E)-1-[3,4-bis(phenylmethoxy)phenyl]non-1-en-3-ol
SMILESCCCCCCC(O)/C=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C29H34O3/c1-2-3-4-11-16-27(30)19-17-24-18-20-28(31-22-25-12-7-5-8-13-25)29(21-24)32-23-26-14-9-6-10-15-26/h5-10,12-15,17-21,27,30H,2-4,11,16,22-23H2,1H3/b19-17+
InChIKeyKPJRAGCPLVEAKB-HTXNQAPBSA-N
XLogP7.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[2,4-bis(phenylmethoxy)phenyl]oct-1-en-3-ol
CID 70461454
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 169454327
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 2478599
2,4-bis(phenylmethoxy)-1-undecoxybenzene
CID 172808268
(Z)-1-(3-bromophenyl)oct-1-en-3-ol
CID 155290532
(E)-6-[3,4-bis(phenylmethoxy)phenyl]-3-methylhex-5-ene-2,4-dione
CID 123400181
4-[(1E,16Z)-3-hydroxypentacosa-1,16-dienyl]-2,6-dimethoxyphenol
CID 141280976
1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 101267905
1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90350663
ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 54167741

Frequently Asked Questions

What is the IUPAC name of (E)-1-[3,4-bis(phenylmethoxy)phenyl]non-1-en-3-ol?
The IUPAC name of (E)-1-[3,4-bis(phenylmethoxy)phenyl]non-1-en-3-ol (CID 13392879) is (E)-1-[3,4-bis(phenylmethoxy)phenyl]non-1-en-3-ol.
What is the SMILES notation for (E)-1-[3,4-bis(phenylmethoxy)phenyl]non-1-en-3-ol?
The canonical SMILES for (E)-1-[3,4-bis(phenylmethoxy)phenyl]non-1-en-3-ol is CCCCCCC(O)/C=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of (E)-1-[3,4-bis(phenylmethoxy)phenyl]non-1-en-3-ol?
The InChIKey is KPJRAGCPLVEAKB-HTXNQAPBSA-N. The full InChI is InChI=1S/C29H34O3/c1-2-3-4-11-16-27(30)19-17-24-18-20-28(31-22-25-12-7-5-8-13-25)29(21-24)32-23-26-14-9-6-10-15-26/h5-10,12-15,17-21,27,30H,2-4,11,16,22-23H2,1H3/b19-17+.
What are the key properties of (E)-1-[3,4-bis(phenylmethoxy)phenyl]non-1-en-3-ol?
(E)-1-[3,4-bis(phenylmethoxy)phenyl]non-1-en-3-ol has a molecular weight of 430.59 g/mol, XLogP of 7.19, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3,4-bis(phenylmethoxy)phenyl]non-1-en-3-ol is sourced from PubChem (CID 13392879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).