(2-hept-6-enoxy-4-methoxyphenyl)methanol

C15H22O3 — CID 107007477

IUPAC(2-hept-6-enoxy-4-methoxyphenyl)methanol
SMILESC=CCCCCCOc1cc(OC)ccc1CO
InChIInChI=1S/C15H22O3/c1-3-4-5-6-7-10-18-15-11-14(17-2)9-8-13(15)12-16/h3,8-9,11,16H,1,4-7,10,12H2,2H3
InChIKeyPHJJAKGWHAUFJN-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.31
Rot. Bonds9

About (2-hept-6-enoxy-4-methoxyphenyl)methanol

(2-hept-6-enoxy-4-methoxyphenyl)methanol (PubChem CID 107007477) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2-hept-6-enoxy-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2-hept-6-enoxy-4-methoxyphenyl)methanol
PubChem CID107007477
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(2-hept-6-enoxy-4-methoxyphenyl)methanol
SMILESC=CCCCCCOc1cc(OC)ccc1CO
InChIInChI=1S/C15H22O3/c1-3-4-5-6-7-10-18-15-11-14(17-2)9-8-13(15)12-16/h3,8-9,11,16H,1,4-7,10,12H2,2H3
InChIKeyPHJJAKGWHAUFJN-UHFFFAOYSA-N
XLogP3.31
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-docosoxy-4-methoxyphenyl)methanol
CID 53257210
N-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 107006122
2,4-dimethoxy-1-(non-8-enoxymethyl)benzene
CID 155664425
(2-hept-6-enoxyphenyl)methanol
CID 107007457
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380
[4-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]methanol
CID 54957551
(2,4-dipentoxyphenyl)methanol
CID 54794877
4-[2-(hydroxymethyl)-5-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 65253720
1-(chloromethyl)-2-decoxy-4-methoxybenzene
CID 63534859
(1S)-1-(4-methoxy-2-pent-4-enoxyphenyl)ethanamine
CID 82000062
3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 61269047
[4-methoxy-2-(2-pyridin-4-ylethoxy)phenyl]methanol
CID 61268316

Frequently Asked Questions

What is the IUPAC name of (2-hept-6-enoxy-4-methoxyphenyl)methanol?
The IUPAC name of (2-hept-6-enoxy-4-methoxyphenyl)methanol (CID 107007477) is (2-hept-6-enoxy-4-methoxyphenyl)methanol.
What is the SMILES notation for (2-hept-6-enoxy-4-methoxyphenyl)methanol?
The canonical SMILES for (2-hept-6-enoxy-4-methoxyphenyl)methanol is C=CCCCCCOc1cc(OC)ccc1CO.
What is the InChIKey of (2-hept-6-enoxy-4-methoxyphenyl)methanol?
The InChIKey is PHJJAKGWHAUFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-3-4-5-6-7-10-18-15-11-14(17-2)9-8-13(15)12-16/h3,8-9,11,16H,1,4-7,10,12H2,2H3.
What are the key properties of (2-hept-6-enoxy-4-methoxyphenyl)methanol?
(2-hept-6-enoxy-4-methoxyphenyl)methanol has a molecular weight of 250.34 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hept-6-enoxy-4-methoxyphenyl)methanol is sourced from PubChem (CID 107007477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).