(4-heptoxy-3,5-dimethylphenyl)methanol

C16H26O2 — CID 43129630

IUPAC(4-heptoxy-3,5-dimethylphenyl)methanol
SMILESCCCCCCCOc1c(C)cc(CO)cc1C
InChIInChI=1S/C16H26O2/c1-4-5-6-7-8-9-18-16-13(2)10-15(12-17)11-14(16)3/h10-11,17H,4-9,12H2,1-3H3
InChIKeyPOFXMFQRNAKNCD-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.14
Rot. Bonds8

About (4-heptoxy-3,5-dimethylphenyl)methanol

(4-heptoxy-3,5-dimethylphenyl)methanol (PubChem CID 43129630) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (4-heptoxy-3,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(4-heptoxy-3,5-dimethylphenyl)methanol
PubChem CID43129630
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(4-heptoxy-3,5-dimethylphenyl)methanol
SMILESCCCCCCCOc1c(C)cc(CO)cc1C
InChIInChI=1S/C16H26O2/c1-4-5-6-7-8-9-18-16-13(2)10-15(12-17)11-14(16)3/h10-11,17H,4-9,12H2,1-3H3
InChIKeyPOFXMFQRNAKNCD-UHFFFAOYSA-N
XLogP4.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-2-heptoxy-1,3-dimethylbenzene
CID 43129659
[4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol
CID 54956081
5-(bromomethyl)-1,3-dimethyl-2-nonoxybenzene
CID 63534828
ethane;2-hexoxy-1,3,5-trimethylbenzene
CID 143283157
(4-heptoxy-3,5-dimethoxyphenyl)methanol
CID 43516772
1-(4-hexoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 43276625
[3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol
CID 67507886
[3,5-dimethyl-4-(4-methylpentoxy)phenyl]methanol
CID 83157323
1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine
CID 63420985
(3,5-dipentoxyphenyl)methanol
CID 121005447
[4-[(4R)-4-[(3,4-dimethylphenyl)methyl]octoxy]-3,5-dimethylphenyl]methanol
CID 125467183
4-heptoxy-3,5-dimethylbenzenesulfonic acid
CID 87685895

Frequently Asked Questions

What is the IUPAC name of (4-heptoxy-3,5-dimethylphenyl)methanol?
The IUPAC name of (4-heptoxy-3,5-dimethylphenyl)methanol (CID 43129630) is (4-heptoxy-3,5-dimethylphenyl)methanol.
What is the SMILES notation for (4-heptoxy-3,5-dimethylphenyl)methanol?
The canonical SMILES for (4-heptoxy-3,5-dimethylphenyl)methanol is CCCCCCCOc1c(C)cc(CO)cc1C.
What is the InChIKey of (4-heptoxy-3,5-dimethylphenyl)methanol?
The InChIKey is POFXMFQRNAKNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-4-5-6-7-8-9-18-16-13(2)10-15(12-17)11-14(16)3/h10-11,17H,4-9,12H2,1-3H3.
What are the key properties of (4-heptoxy-3,5-dimethylphenyl)methanol?
(4-heptoxy-3,5-dimethylphenyl)methanol has a molecular weight of 250.38 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-heptoxy-3,5-dimethylphenyl)methanol is sourced from PubChem (CID 43129630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).