1-methoxy-3-nonadecylbenzene

C26H46O — CID 154507578

IUPAC1-methoxy-3-nonadecylbenzene
SMILESCCCCCCCCCCCCCCCCCCCc1cccc(OC)c1
InChIInChI=1S/C26H46O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22-20-23-26(24-25)27-2/h20,22-24H,3-19,21H2,1-2H3
InChIKeyRLDFOFBEQGNDKP-UHFFFAOYSA-N
MW374.65 g/mol
LogP8.89
Rot. Bonds19

About 1-methoxy-3-nonadecylbenzene

1-methoxy-3-nonadecylbenzene (PubChem CID 154507578) has the molecular formula C26H46O and a molecular weight of 374.65 g/mol. Its IUPAC name is 1-methoxy-3-nonadecylbenzene.

Molecular Properties

Compound Name1-methoxy-3-nonadecylbenzene
PubChem CID154507578
Molecular FormulaC26H46O
Molecular Weight374.65 g/mol
Exact Mass374.35
IUPAC Name1-methoxy-3-nonadecylbenzene
SMILESCCCCCCCCCCCCCCCCCCCc1cccc(OC)c1
InChIInChI=1S/C26H46O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22-20-23-26(24-25)27-2/h20,22-24H,3-19,21H2,1-2H3
InChIKeyRLDFOFBEQGNDKP-UHFFFAOYSA-N
XLogP8.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.65
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-propylbenzene
CID 14270128
1,3-di(tetradecyl)benzene
CID 91053224
1-(4-chlorobutyl)-3-methoxybenzene
CID 10774359
1-hexyl-3-propan-2-yloxybenzene
CID 159994008
7-(3-methoxyphenyl)heptanal
CID 86640154
2-[10-(3-methoxyphenyl)decyl]phenol
CID 134285067
1-methoxy-3-(3-propylphenoxy)benzene
CID 153343611
1-(3-methoxyphenyl)heptan-4-one
CID 64502649
1-(3-methoxyphenyl)dodecan-2-amine
CID 63417344
1-pentyl-3-(4-propylphenoxy)benzene
CID 58062247
1-heptyl-3-(1,1,2,2-tetrafluoroethoxy)benzene
CID 59545774
(3-pentadecylphenyl) diphenyl phosphate
CID 101494107

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-nonadecylbenzene?
The IUPAC name of 1-methoxy-3-nonadecylbenzene (CID 154507578) is 1-methoxy-3-nonadecylbenzene.
What is the SMILES notation for 1-methoxy-3-nonadecylbenzene?
The canonical SMILES for 1-methoxy-3-nonadecylbenzene is CCCCCCCCCCCCCCCCCCCc1cccc(OC)c1.
What is the InChIKey of 1-methoxy-3-nonadecylbenzene?
The InChIKey is RLDFOFBEQGNDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22-20-23-26(24-25)27-2/h20,22-24H,3-19,21H2,1-2H3.
What are the key properties of 1-methoxy-3-nonadecylbenzene?
1-methoxy-3-nonadecylbenzene has a molecular weight of 374.65 g/mol, XLogP of 8.89, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-nonadecylbenzene is sourced from PubChem (CID 154507578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).