acetaldehyde;4-(2-methylheptan-2-yl)phenol

C16H26O2 — CID 87674929

IUPACacetaldehyde;4-(2-methylheptan-2-yl)phenol
SMILESCC=O.CCCCCC(C)(C)c1ccc(O)cc1
InChIInChI=1S/C14H22O.C2H4O/c1-4-5-6-11-14(2,3)12-7-9-13(15)10-8-12;1-2-3/h7-10,15H,4-6,11H2,1-3H3;2H,1H3
InChIKeyIVVGKWNOZVNLBY-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.46
Rot. Bonds5

About acetaldehyde;4-(2-methylheptan-2-yl)phenol

acetaldehyde;4-(2-methylheptan-2-yl)phenol (PubChem CID 87674929) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is acetaldehyde;4-(2-methylheptan-2-yl)phenol.

Molecular Properties

Compound Nameacetaldehyde;4-(2-methylheptan-2-yl)phenol
PubChem CID87674929
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Nameacetaldehyde;4-(2-methylheptan-2-yl)phenol
SMILESCC=O.CCCCCC(C)(C)c1ccc(O)cc1
InChIInChI=1S/C14H22O.C2H4O/c1-4-5-6-11-14(2,3)12-7-9-13(15)10-8-12;1-2-3/h7-10,15H,4-6,11H2,1-3H3;2H,1H3
InChIKeyIVVGKWNOZVNLBY-UHFFFAOYSA-N
XLogP4.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,7,7-trimethyloctan-2-yl)phenol
CID 141467055
4-(2-hydroxyheptan-2-yl)phenol
CID 83075318
4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol
CID 176549598
undecyl 5-(4-hydroxyphenyl)-5-methylhexanoate
CID 70465048
1-ethyl-4-(2-methylheptan-2-yl)benzene
CID 54310984
5-(2-methylheptan-2-yl)benzene-1,3-diol
CID 12713057
6-(4-hydroxyphenyl)-6-methylheptan-2-one
CID 19865043
4-(2-methylnonan-2-yl)benzamide
CID 154959584
4-[1-chloro-1-(4-hydroxyphenyl)hexyl]phenol
CID 142671500
1-isocyanato-4-(2-methylpentadecan-2-yl)benzene
CID 20519751
4-[3-(4-hydroxyphenyl)octadecan-3-yl]phenol
CID 139639448
4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol
CID 174529240

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;4-(2-methylheptan-2-yl)phenol?
The IUPAC name of acetaldehyde;4-(2-methylheptan-2-yl)phenol (CID 87674929) is acetaldehyde;4-(2-methylheptan-2-yl)phenol.
What is the SMILES notation for acetaldehyde;4-(2-methylheptan-2-yl)phenol?
The canonical SMILES for acetaldehyde;4-(2-methylheptan-2-yl)phenol is CC=O.CCCCCC(C)(C)c1ccc(O)cc1.
What is the InChIKey of acetaldehyde;4-(2-methylheptan-2-yl)phenol?
The InChIKey is IVVGKWNOZVNLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.C2H4O/c1-4-5-6-11-14(2,3)12-7-9-13(15)10-8-12;1-2-3/h7-10,15H,4-6,11H2,1-3H3;2H,1H3.
What are the key properties of acetaldehyde;4-(2-methylheptan-2-yl)phenol?
acetaldehyde;4-(2-methylheptan-2-yl)phenol has a molecular weight of 250.38 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;4-(2-methylheptan-2-yl)phenol is sourced from PubChem (CID 87674929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).