(2-heptylphenyl) formate

C14H20O2 — CID 141284661

IUPAC(2-heptylphenyl) formate
SMILESCCCCCCCc1ccccc1OC=O
InChIInChI=1S/C14H20O2/c1-2-3-4-5-6-9-13-10-7-8-11-14(13)16-12-15/h7-8,10-12H,2-6,9H2,1H3
InChIKeyUCJJCXQXTVSMOF-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.73
Rot. Bonds8

About (2-heptylphenyl) formate

(2-heptylphenyl) formate (PubChem CID 141284661) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2-heptylphenyl) formate.

Molecular Properties

Compound Name(2-heptylphenyl) formate
PubChem CID141284661
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(2-heptylphenyl) formate
SMILESCCCCCCCc1ccccc1OC=O
InChIInChI=1S/C14H20O2/c1-2-3-4-5-6-9-13-10-7-8-11-14(13)16-12-15/h7-8,10-12H,2-6,9H2,1H3
InChIKeyUCJJCXQXTVSMOF-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
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

(2-propylphenyl) formate
CID 54498769
(2,3-dioctadecylphenyl) formate
CID 141322488
1-methoxy-2-tetradecylbenzene
CID 69169530
(2-octylphenyl) hydrogen sulfite
CID 21399380
1-heptyl-2-octadecoxybenzene
CID 139667653
disodium;1-hexadecyl-2-(2-hexadecylphenoxy)benzene;hydride
CID 175018973
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-decyl-2-ethoxybenzene
CID 175243335
sodium;1-dodecyl-2-(2-dodecylphenoxy)benzene;hydride
CID 173150069
1-butyl-2-nonoxybenzene
CID 118255282
(2-octylphenoxy)phosphane
CID 163637323
(2-nonylphenyl) bis(2-octylphenyl) phosphate
CID 71349653

Frequently Asked Questions

What is the IUPAC name of (2-heptylphenyl) formate?
The IUPAC name of (2-heptylphenyl) formate (CID 141284661) is (2-heptylphenyl) formate.
What is the SMILES notation for (2-heptylphenyl) formate?
The canonical SMILES for (2-heptylphenyl) formate is CCCCCCCc1ccccc1OC=O.
What is the InChIKey of (2-heptylphenyl) formate?
The InChIKey is UCJJCXQXTVSMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-3-4-5-6-9-13-10-7-8-11-14(13)16-12-15/h7-8,10-12H,2-6,9H2,1H3.
What are the key properties of (2-heptylphenyl) formate?
(2-heptylphenyl) formate has a molecular weight of 220.31 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-heptylphenyl) formate is sourced from PubChem (CID 141284661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).