[4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol

C14H14FNO — CID 152840054

IUPAC[4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol
SMILESC/C=C\c1cc(F)ccc1C(O)C1=NC=CC1
InChIInChI=1S/C14H14FNO/c1-2-4-10-9-11(15)6-7-12(10)14(17)13-5-3-8-16-13/h2-4,6-9,14,17H,5H2,1H3/b4-2-
InChIKeySYNXMQWZFNHRHN-RQOWECAXSA-N
MW231.27 g/mol
LogP3.25
Rot. Bonds3

About [4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol

[4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol (PubChem CID 152840054) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is [4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name[4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol
PubChem CID152840054
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name[4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol
SMILESC/C=C\c1cc(F)ccc1C(O)C1=NC=CC1
InChIInChI=1S/C14H14FNO/c1-2-4-10-9-11(15)6-7-12(10)14(17)13-5-3-8-16-13/h2-4,6-9,14,17H,5H2,1H3/b4-2-
InChIKeySYNXMQWZFNHRHN-RQOWECAXSA-N
XLogP3.25
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol?
The IUPAC name of [4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol (CID 152840054) is [4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol.
What is the SMILES notation for [4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol?
The canonical SMILES for [4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol is C/C=C\c1cc(F)ccc1C(O)C1=NC=CC1.
What is the InChIKey of [4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol?
The InChIKey is SYNXMQWZFNHRHN-RQOWECAXSA-N. The full InChI is InChI=1S/C14H14FNO/c1-2-4-10-9-11(15)6-7-12(10)14(17)13-5-3-8-16-13/h2-4,6-9,14,17H,5H2,1H3/b4-2-.
What are the key properties of [4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol?
[4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol has a molecular weight of 231.27 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol is sourced from PubChem (CID 152840054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).